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

Systemtic Name: ethyl (3S)-1-[6-methoxy-3-(4-methylphenyl)sulfonyl-quinolin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[6-methoxy-3-(p-tolylsulfonyl)-4-quinolyl]piperidine-3-carboxylate CAS Name: (3S)-1-[6-methoxy-3-(4-methylphenyl)sulfonyl-4-quinolinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[6-methoxy-3-(4-methylphenyl)sulfonylquinolin-4-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-(6-methoxy-3-tosyl-4-quinolyl)nipecotic acid ethyl ester Formula: C25H28N2O5S MolecularWeight: 468.56522

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O5S/c1-4-32-25(28)18-6-5-13-27(16-18)24-21-14-19(31-3)9-12-22(21)26-15-23(24)33(29,30)20-10-7-17(2)8-11-20/h7-12,14-15,18H,4-6,13,16H2,1-3H3/t18-/m0/s1