[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 1-(3-methylquinolin-8-yl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 1-(3-methylquinolin-8-yl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 1-[(3-methyl-8-quinolyl)sulfonyl]piperidine-4-carboxylate CAS Name: 1-[(3-methyl-8-quinolinyl)sulfonyl]-4-piperidinecarboxylic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 1-(3-methylquinolin-8-yl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-[(3-methyl-8-quinolyl)sulfonyl]isonipecotic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C25H33N3O5S MolecularWeight: 487.61162

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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)N4CCCCCC4

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCC(CC3)C(=O)OC(C)C(=O)N4CCCCCC4

InChI

InChI=1S/C25H33N3O5S/c1-18-16-21-8-7-9-22(23(21)26-17-18)34(31,32)28-14-10-20(11-15-28)25(30)33-19(2)24(29)27-12-5-3-4-6-13-27/h7-9,16-17,19-20H,3-6,10-15H2,1-2H3