1-[(1-cyclobutylcarbonyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-[(1-cyclobutylcarbonyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: 1-[[1-(cyclobutanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide CAS Name: 1-[[1-[cyclobutyl(oxo)methyl]-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]-N-[3-(methylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[[1-(cyclobutanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: 1-[[1-(cyclobutanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]-N-[3-(methylthio)phenyl]isonipecotamide Formula: C27H33N3O4S2 MolecularWeight: 527.69862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)N(CCC4)C(=O)C5CCC5

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)N(CCC4)C(=O)C5CCC5

InChI

InChI=1S/C27H33N3O4S2/c1-35-23-9-3-8-22(18-23)28-26(31)19-12-15-29(16-13-19)36(33,34)24-10-11-25-21(17-24)7-4-14-30(25)27(32)20-5-2-6-20/h3,8-11,17-20H,2,4-7,12-16H2,1H3,(H,28,31)