6,7-diethoxy-4-[[2-ethyl-3-[[2-(4-sulfamoylphenyl)ethylamino]methyl]phenyl]amino]quinoline-3-carboxamide

Systemtic Name: 6,7-diethoxy-4-[[2-ethyl-3-[[2-(4-sulfamoylphenyl)ethylamino]methyl]phenyl]amino]quinoline-3-carboxamide Openeye Name: 6,7-diethoxy-4-[2-ethyl-3-[[2-(4-sulfamoylphenyl)ethylamino]methyl]anilino]quinoline-3-carboxamide CAS Name: 6,7-diethoxy-4-[2-ethyl-3-[[2-(4-sulfamoylphenyl)ethylamino]methyl]anilino]-3-quinolinecarboxamide IUPAC Name: 6,7-diethoxy-4-[2-ethyl-3-[[2-(4-sulfamoylphenyl)ethylamino]methyl]anilino]quinoline-3-carboxamide Traditional Name: 6,7-diethoxy-4-[2-ethyl-3-[[2-(4-sulfamoylphenyl)ethylamino]methyl]anilino]quinoline-3-carboxamide Formula: C31H37N5O5S MolecularWeight: 591.72098

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OCC)OCC)C(=O)N)CNCCC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CCC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OCC)OCC)C(=O)N)CNCCC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C31H37N5O5S/c1-4-23-21(18-34-15-14-20-10-12-22(13-11-20)42(33,38)39)8-7-9-26(23)36-30-24-16-28(40-5-2)29(41-6-3)17-27(24)35-19-25(30)31(32)37/h7-13,16-17,19,34H,4-6,14-15,18H2,1-3H3,(H2,32,37)(H,35,36)(H2,33,38,39)