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

Systemtic Name: N-(3-cyclohexylsulfanylpropyl)-6-[(4-ethoxyphenyl)sulfamoyl]-4-oxidanylidene-1H-quinoline-3-carboxamide Openeye Name: N-(3-cyclohexylsulfanylpropyl)-6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide CAS Name: N-[3-(cyclohexylthio)propyl]-6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide IUPAC Name: N-(3-cyclohexylsulfanylpropyl)-6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide Traditional Name: N-[3-(cyclohexylthio)propyl]-4-keto-6-(p-phenetylsulfamoyl)-1H-quinoline-3-carboxamide Formula: C27H33N3O5S2 MolecularWeight: 543.69802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)NCCCSC4CCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)NCCCSC4CCCCC4

InChI

InChI=1S/C27H33N3O5S2/c1-2-35-20-11-9-19(10-12-20)30-37(33,34)22-13-14-25-23(17-22)26(31)24(18-29-25)27(32)28-15-6-16-36-21-7-4-3-5-8-21/h9-14,17-18,21,30H,2-8,15-16H2,1H3,(H,28,32)(H,29,31)