N-(4-piperidin-1-ylsulfonylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-butanamide

Systemtic Name: N-(4-piperidin-1-ylsulfonylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-butanamide Openeye Name: N-[4-(1-piperidylsulfonyl)phenyl]-2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]butanamide CAS Name: N-[4-(1-piperidinylsulfonyl)phenyl]-2-[(4,6,8-trimethyl-2-quinolinyl)thio]butanamide IUPAC Name: N-(4-piperidin-1-ylsulfonylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide Traditional Name: N-(4-piperidinosulfonylphenyl)-2-[(4,6,8-trimethyl-2-quinolyl)thio]butyramide Formula: C27H33N3O3S2 MolecularWeight: 511.69922

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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=C(C=C4C(=C3)C)C)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)SC3=NC4=C(C=C(C=C4C(=C3)C)C)C

InChI

InChI=1S/C27H33N3O3S2/c1-5-24(34-25-17-19(3)23-16-18(2)15-20(4)26(23)29-25)27(31)28-21-9-11-22(12-10-21)35(32,33)30-13-7-6-8-14-30/h9-12,15-17,24H,5-8,13-14H2,1-4H3,(H,28,31)