[4-[(4-chlorophenyl)carbonylamino]phenyl] 1-methylsulfonylpiperidine-3-carboxylate

Systemtic Name: [4-[(4-chlorophenyl)carbonylamino]phenyl] 1-methylsulfonylpiperidine-3-carboxylate Openeye Name: [4-[(4-chlorobenzoyl)amino]phenyl] 1-methylsulfonylpiperidine-3-carboxylate CAS Name: 1-methylsulfonyl-3-piperidinecarboxylic acid [4-[[(4-chlorophenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[(4-chlorobenzoyl)amino]phenyl] 1-methylsulfonylpiperidine-3-carboxylate Traditional Name: 1-mesylnipecotic acid [4-[(4-chlorobenzoyl)amino]phenyl] ester Formula: C20H21ClN2O5S MolecularWeight: 436.90914

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CS(=O)(=O)N1CCCC(C1)C(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN2O5S/c1-29(26,27)23-12-2-3-15(13-23)20(25)28-18-10-8-17(9-11-18)22-19(24)14-4-6-16(21)7-5-14/h4-11,15H,2-3,12-13H2,1H3,(H,22,24)