2-(8-methoxy-4-methyl-quinolin-2-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)butanamide

Systemtic Name: 2-(8-methoxy-4-methyl-quinolin-2-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)butanamide Openeye Name: 2-[(8-methoxy-4-methyl-2-quinolyl)sulfanyl]-N-[4-(1-piperidylsulfonyl)phenyl]butanamide CAS Name: 2-[(8-methoxy-4-methyl-2-quinolinyl)thio]-N-[4-(1-piperidinylsulfonyl)phenyl]butanamide IUPAC Name: 2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)butanamide Traditional Name: 2-[(8-methoxy-4-methyl-2-quinolyl)thio]-N-(4-piperidinosulfonylphenyl)butyramide Formula: C26H31N3O4S2 MolecularWeight: 513.67204

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)SC3=NC4=C(C=CC=C4OC)C(=C3)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)SC3=NC4=C(C=CC=C4OC)C(=C3)C

InChI

InChI=1S/C26H31N3O4S2/c1-4-23(34-24-17-18(2)21-9-8-10-22(33-3)25(21)28-24)26(30)27-19-11-13-20(14-12-19)35(31,32)29-15-6-5-7-16-29/h8-14,17,23H,4-7,15-16H2,1-3H3,(H,27,30)