5-[[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]carbonylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]carbonylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[[1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[1-(3,4-dimethoxyphenyl)sulfonylisonipecotoyl]amino]methyl]-2-methoxy-benzoic acid Formula: C23H28N2O8S MolecularWeight: 492.54202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC)C(=O)O

InChI

InChI=1S/C23H28N2O8S/c1-31-19-6-4-15(12-18(19)23(27)28)14-24-22(26)16-8-10-25(11-9-16)34(29,30)17-5-7-20(32-2)21(13-17)33-3/h4-7,12-13,16H,8-11,14H2,1-3H3,(H,24,26)(H,27,28)