4-[4-[(2,4-dimethoxyphenyl)carbonylamino]piperidin-1-yl]-3-methylsulfonyl-benzoic acid

Systemtic Name: 4-[4-[(2,4-dimethoxyphenyl)carbonylamino]piperidin-1-yl]-3-methylsulfonyl-benzoic acid Openeye Name: 4-[4-[(2,4-dimethoxybenzoyl)amino]-1-piperidyl]-3-methylsulfonyl-benzoic acid CAS Name: 4-[4-[[(2,4-dimethoxyphenyl)-oxomethyl]amino]-1-piperidinyl]-3-methylsulfonylbenzoic acid IUPAC Name: 4-[4-[(2,4-dimethoxybenzoyl)amino]piperidin-1-yl]-3-methylsulfonylbenzoic acid Traditional Name: 4-[4-[(2,4-dimethoxybenzoyl)amino]piperidino]-3-mesyl-benzoic acid Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)NC2CCN(CC2)C3=C(C=C(C=C3)C(=O)O)S(=O)(=O)C)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)NC2CCN(CC2)C3=C(C=C(C=C3)C(=O)O)S(=O)(=O)C)OC

InChI

InChI=1S/C22H26N2O7S/c1-30-16-5-6-17(19(13-16)31-2)21(25)23-15-8-10-24(11-9-15)18-7-4-14(22(26)27)12-20(18)32(3,28)29/h4-7,12-13,15H,8-11H2,1-3H3,(H,23,25)(H,26,27)