ethyl (3S)-1-[6-chloranyl-3-(4-methylphenyl)sulfonyl-quinolin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[6-chloranyl-3-(4-methylphenyl)sulfonyl-quinolin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[6-chloro-3-(p-tolylsulfonyl)-4-quinolyl]piperidine-3-carboxylate CAS Name: (3S)-1-[6-chloro-3-(4-methylphenyl)sulfonyl-4-quinolinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[6-chloro-3-(4-methylphenyl)sulfonylquinolin-4-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-(6-chloro-3-tosyl-4-quinolyl)nipecotic acid ethyl ester Formula: C24H25ClN2O4S MolecularWeight: 472.9843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C3C=C(C=CC3=NC=C2S(=O)(=O)C4=CC=C(C=C4)C)Cl

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C2=C3C=C(C=CC3=NC=C2S(=O)(=O)C4=CC=C(C=C4)C)Cl

InChI

InChI=1S/C24H25ClN2O4S/c1-3-31-24(28)17-5-4-12-27(15-17)23-20-13-18(25)8-11-21(20)26-14-22(23)32(29,30)19-9-6-16(2)7-10-19/h6-11,13-14,17H,3-5,12,15H2,1-2H3/t17-/m0/s1