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

Systemtic Name: ethyl (3S)-1-[6-chloranyl-3-(4-methoxyphenyl)sulfonyl-quinolin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[6-chloro-3-(4-methoxyphenyl)sulfonyl-4-quinolyl]piperidine-3-carboxylate CAS Name: (3S)-1-[6-chloro-3-(4-methoxyphenyl)sulfonyl-4-quinolinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[6-chloro-3-(4-methoxyphenyl)sulfonylquinolin-4-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-[6-chloro-3-(4-methoxyphenyl)sulfonyl-4-quinolyl]nipecotic acid ethyl ester Formula: C24H25ClN2O5S MolecularWeight: 488.9837

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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)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H25ClN2O5S/c1-3-32-24(28)16-5-4-12-27(15-16)23-20-13-17(25)6-11-21(20)26-14-22(23)33(29,30)19-9-7-18(31-2)8-10-19/h6-11,13-14,16H,3-5,12,15H2,1-2H3/t16-/m0/s1