benzoic acid; N-(2-methoxyphenyl)-N-(2-oxidanyl-3-piperidin-1-yl-propyl)benzenesulfonamide

Systemtic Name: benzoic acid; N-(2-methoxyphenyl)-N-(2-oxidanyl-3-piperidin-1-yl-propyl)benzenesulfonamide Openeye Name: benzoic acid; N-[2-hydroxy-3-(1-piperidyl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide CAS Name: benzoic acid; N-[2-hydroxy-3-(1-piperidinyl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide IUPAC Name: benzoic acid; N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-(2-methoxyphenyl)benzenesulfonamide Traditional Name: benzoic acid; N-(2-hydroxy-3-piperidino-propyl)-N-(2-methoxyphenyl)benzenesulfonamide Formula: C28H34N2O6S MolecularWeight: 526.64436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CC(CN2CCCCC2)O)S(=O)(=O)C3=CC=CC=C3.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1N(CC(CN2CCCCC2)O)S(=O)(=O)C3=CC=CC=C3.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C21H28N2O4S.C7H6O2/c1-27-21-13-7-6-12-20(21)23(28(25,26)19-10-4-2-5-11-19)17-18(24)16-22-14-8-3-9-15-22;8-7(9)6-4-2-1-3-5-6/h2,4-7,10-13,18,24H,3,8-9,14-17H2,1H3;1-5H,(H,8,9)