4-[4-[(4-chlorophenyl)carbonylamino]piperidin-1-yl]-3-methylsulfonyl-benzoic acid

Systemtic Name: 4-[4-[(4-chlorophenyl)carbonylamino]piperidin-1-yl]-3-methylsulfonyl-benzoic acid Openeye Name: 4-[4-[(4-chlorobenzoyl)amino]-1-piperidyl]-3-methylsulfonyl-benzoic acid CAS Name: 4-[4-[[(4-chlorophenyl)-oxomethyl]amino]-1-piperidinyl]-3-methylsulfonylbenzoic acid IUPAC Name: 4-[4-[(4-chlorobenzoyl)amino]piperidin-1-yl]-3-methylsulfonylbenzoic acid Traditional Name: 4-[4-[(4-chlorobenzoyl)amino]piperidino]-3-mesyl-benzoic acid Formula: C20H21ClN2O5S MolecularWeight: 436.90914

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)N2CCC(CC2)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)N2CCC(CC2)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN2O5S/c1-29(27,28)18-12-14(20(25)26)4-7-17(18)23-10-8-16(9-11-23)22-19(24)13-2-5-15(21)6-3-13/h2-7,12,16H,8-11H2,1H3,(H,22,24)(H,25,26)