N-(3-cyclohexylsulfanylpropyl)-6-[(3,5-dimethylphenyl)sulfamoyl]-4-oxidanylidene-1H-quinoline-3-carboxamide

Systemtic Name: N-(3-cyclohexylsulfanylpropyl)-6-[(3,5-dimethylphenyl)sulfamoyl]-4-oxidanylidene-1H-quinoline-3-carboxamide Openeye Name: N-(3-cyclohexylsulfanylpropyl)-6-[(3,5-dimethylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide CAS Name: N-[3-(cyclohexylthio)propyl]-6-[(3,5-dimethylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide IUPAC Name: N-(3-cyclohexylsulfanylpropyl)-6-[(3,5-dimethylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide Traditional Name: N-[3-(cyclohexylthio)propyl]-6-[(3,5-dimethylphenyl)sulfamoyl]-4-keto-1H-quinoline-3-carboxamide Formula: C27H33N3O4S2 MolecularWeight: 527.69862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)NCCCSC4CCCCC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)NCCCSC4CCCCC4)C

InChI

InChI=1S/C27H33N3O4S2/c1-18-13-19(2)15-20(14-18)30-36(33,34)22-9-10-25-23(16-22)26(31)24(17-29-25)27(32)28-11-6-12-35-21-7-4-3-5-8-21/h9-10,13-17,21,30H,3-8,11-12H2,1-2H3,(H,28,32)(H,29,31)