1-[4-(2,3-dimethoxyphenyl)carbonylphenyl]-2-oxidanylidene-1-piperidin-1-yl-propane-1-sulfonamide

Systemtic Name: 1-[4-(2,3-dimethoxyphenyl)carbonylphenyl]-2-oxidanylidene-1-piperidin-1-yl-propane-1-sulfonamide Openeye Name: 1-[4-(2,3-dimethoxybenzoyl)phenyl]-2-oxo-1-(1-piperidyl)propane-1-sulfonamide CAS Name: 1-[4-[(2,3-dimethoxyphenyl)-oxomethyl]phenyl]-2-oxo-1-(1-piperidinyl)-1-propanesulfonamide IUPAC Name: 1-[4-(2,3-dimethoxybenzoyl)phenyl]-2-oxo-1-piperidin-1-ylpropane-1-sulfonamide Traditional Name: 2-keto-1-(4-o-veratroylphenyl)-1-piperidino-propane-1-sulfonamide Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1=CC=C(C=C1)C(=O)C2=C(C(=CC=C2)OC)OC)(N3CCCCC3)S(=O)(=O)N

Isomeric SMILES

CC(=O)C(C1=CC=C(C=C1)C(=O)C2=C(C(=CC=C2)OC)OC)(N3CCCCC3)S(=O)(=O)N

InChI

InChI=1S/C23H28N2O6S/c1-16(26)23(32(24,28)29,25-14-5-4-6-15-25)18-12-10-17(11-13-18)21(27)19-8-7-9-20(30-2)22(19)31-3/h7-13H,4-6,14-15H2,1-3H3,(H2,24,28,29)