3-oxidanylidenebutan-2-yl 1-(3-methylquinolin-8-yl)sulfonylpiperidine-4-carboxylate

Systemtic Name: 3-oxidanylidenebutan-2-yl 1-(3-methylquinolin-8-yl)sulfonylpiperidine-4-carboxylate Openeye Name: (1-methyl-2-oxo-propyl) 1-[(3-methyl-8-quinolyl)sulfonyl]piperidine-4-carboxylate CAS Name: 1-[(3-methyl-8-quinolinyl)sulfonyl]-4-piperidinecarboxylic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 1-(3-methylquinolin-8-yl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-[(3-methyl-8-quinolyl)sulfonyl]isonipecotic acid (2-keto-1-methyl-propyl) ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCC(CC3)C(=O)OC(C)C(=O)C

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCC(CC3)C(=O)OC(C)C(=O)C

InChI

InChI=1S/C20H24N2O5S/c1-13-11-17-5-4-6-18(19(17)21-12-13)28(25,26)22-9-7-16(8-10-22)20(24)27-15(3)14(2)23/h4-6,11-12,15-16H,7-10H2,1-3H3