4-[(2-chlorophenyl)carbonylamino]-1-(2-methylsulfonylphenyl)sulfonyl-piperidine-4-carboxylic acid

Systemtic Name: 4-[(2-chlorophenyl)carbonylamino]-1-(2-methylsulfonylphenyl)sulfonyl-piperidine-4-carboxylic acid Openeye Name: 4-[(2-chlorobenzoyl)amino]-1-(2-methylsulfonylphenyl)sulfonyl-piperidine-4-carboxylic acid CAS Name: 4-[[(2-chlorophenyl)-oxomethyl]amino]-1-(2-methylsulfonylphenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 4-[(2-chlorobenzoyl)amino]-1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 4-[(2-chlorobenzoyl)amino]-1-(2-mesylphenyl)sulfonyl-isonipecotic acid Formula: C20H21ClN2O7S2 MolecularWeight: 500.97294

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)(C(=O)O)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)(C(=O)O)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H21ClN2O7S2/c1-31(27,28)16-8-4-5-9-17(16)32(29,30)23-12-10-20(11-13-23,19(25)26)22-18(24)14-6-2-3-7-15(14)21/h2-9H,10-13H2,1H3,(H,22,24)(H,25,26)