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Inherent Properties, Identifiers and References
ChemSpider ID: 2843200
Empirical Formula: C27H31N3O5S
Molecular Weight: 509.6171
Nominal Mass: 509 Da
Average Mass: 509.6171 Da
Monoisotopic Mass: 509.198441 Da
Systematic Name: N-benzyl-2,5-dimethoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]b​enzenesulfonamide
SMILES: O=S(=O)(c1cc(OC)ccc1OC)N(Cc2ccccc2)CC(=O)N4CCN(c3ccccc3)CC4 Copy
InChI: InChI=1/C27H31N3O5S/c1-34-24-13-14-25(35-2)26(19-24)36(32,33)30(2​0-22-9-5-3-6-10-22)21-27(31)29-17-15-28(16-18-29)23-11-7-4-8-12-2​3/h3-14,19H,15-18,20-21H2,1-2H3 Copy
InChIKey: BTBPICBWWWBSPN-UHFFFAOYAT
Std. InChI: Copy
Std. InChIKey: -
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