4-[[2-ethyl-3-[[(4-methylsulfonylphenyl)methylamino]methyl]phenyl]amino]-6,7-dimethoxy-quinoline-3-carboxamide

Systemtic Name: 4-[[2-ethyl-3-[[(4-methylsulfonylphenyl)methylamino]methyl]phenyl]amino]-6,7-dimethoxy-quinoline-3-carboxamide Openeye Name: 4-[2-ethyl-3-[[(4-methylsulfonylphenyl)methylamino]methyl]anilino]-6,7-dimethoxy-quinoline-3-carboxamide CAS Name: 4-[2-ethyl-3-[[(4-methylsulfonylphenyl)methylamino]methyl]anilino]-6,7-dimethoxy-3-quinolinecarboxamide IUPAC Name: 4-[2-ethyl-3-[[(4-methylsulfonylphenyl)methylamino]methyl]anilino]-6,7-dimethoxyquinoline-3-carboxamide Traditional Name: 4-[2-ethyl-3-[[(4-mesylbenzyl)amino]methyl]anilino]-6,7-dimethoxy-quinoline-3-carboxamide Formula: C29H32N4O5S MolecularWeight: 548.65318

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OC)OC)C(=O)N)CNCC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OC)OC)C(=O)N)CNCC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C29H32N4O5S/c1-5-21-19(16-31-15-18-9-11-20(12-10-18)39(4,35)36)7-6-8-24(21)33-28-22-13-26(37-2)27(38-3)14-25(22)32-17-23(28)29(30)34/h6-14,17,31H,5,15-16H2,1-4H3,(H2,30,34)(H,32,33)