(2-chloranylquinolin-3-yl)methyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (2-chloranylquinolin-3-yl)methyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (2-chloro-3-quinolyl)methyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-4-piperidinecarboxylic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)sulfonylisonipecotic acid (2-chloro-3-quinolyl)methyl ester Formula: C24H25ClN2O4S MolecularWeight: 472.9843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC4=CC=CC=C4N=C3Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC4=CC=CC=C4N=C3Cl)C

InChI

InChI=1S/C24H25ClN2O4S/c1-16-7-8-21(13-17(16)2)32(29,30)27-11-9-18(10-12-27)24(28)31-15-20-14-19-5-3-4-6-22(19)26-23(20)25/h3-8,13-14,18H,9-12,15H2,1-2H3