[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl] 4-[(2-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(2-methyl-1-piperidinyl)sulfonyl]benzoic acid [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(2-methylpiperidino)sulfonylbenzoic acid [2-[(4-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H25ClN2O5S/c1-16-4-2-3-13-25(16)31(28,29)20-11-7-18(8-12-20)22(27)30-15-21(26)24-14-17-5-9-19(23)10-6-17/h5-12,16H,2-4,13-15H2,1H3,(H,24,26)