benzoic acid; N-(2-methoxyphenyl)-N-[3-(4-methylpiperidin-1-yl)-2-oxidanyl-propyl]benzenesulfonamide

Systemtic Name: benzoic acid; N-(2-methoxyphenyl)-N-[3-(4-methylpiperidin-1-yl)-2-oxidanyl-propyl]benzenesulfonamide Openeye Name: benzoic acid; N-[2-hydroxy-3-(4-methyl-1-piperidyl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide CAS Name: benzoic acid; N-[2-hydroxy-3-(4-methyl-1-piperidinyl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide IUPAC Name: benzoic acid; N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide Traditional Name: benzoic acid; N-[2-hydroxy-3-(4-methylpiperidino)propyl]-N-(2-methoxyphenyl)benzenesulfonamide Formula: C29H36N2O6S MolecularWeight: 540.67094

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CC(CN(C2=CC=CC=C2OC)S(=O)(=O)C3=CC=CC=C3)O.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC1CCN(CC1)CC(CN(C2=CC=CC=C2OC)S(=O)(=O)C3=CC=CC=C3)O.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C22H30N2O4S.C7H6O2/c1-18-12-14-23(15-13-18)16-19(25)17-24(21-10-6-7-11-22(21)28-2)29(26,27)20-8-4-3-5-9-20;8-7(9)6-4-2-1-3-5-6/h3-11,18-19,25H,12-17H2,1-2H3;1-5H,(H,8,9)