4-[4-[(4-chloranyl-2-methoxy-phenyl)carbonylamino]piperidin-1-yl]-3-methylsulfonyl-benzoic acid

Systemtic Name: 4-[4-[(4-chloranyl-2-methoxy-phenyl)carbonylamino]piperidin-1-yl]-3-methylsulfonyl-benzoic acid Openeye Name: 4-[4-[(4-chloro-2-methoxy-benzoyl)amino]-1-piperidyl]-3-methylsulfonyl-benzoic acid CAS Name: 4-[4-[[(4-chloro-2-methoxyphenyl)-oxomethyl]amino]-1-piperidinyl]-3-methylsulfonylbenzoic acid IUPAC Name: 4-[4-[(4-chloro-2-methoxybenzoyl)amino]piperidin-1-yl]-3-methylsulfonylbenzoic acid Traditional Name: 4-[4-[(4-chloro-2-methoxy-benzoyl)amino]piperidino]-3-mesyl-benzoic acid Formula: C21H23ClN2O6S MolecularWeight: 466.93512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O6S/c1-30-18-12-14(22)4-5-16(18)20(25)23-15-7-9-24(10-8-15)17-6-3-13(21(26)27)11-19(17)31(2,28)29/h3-6,11-12,15H,7-10H2,1-2H3,(H,23,25)(H,26,27)