4-[(3,4-dimethylphenyl)amino]-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide

Systemtic Name: 4-[(3,4-dimethylphenyl)amino]-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide Openeye Name: 4-(3,4-dimethylanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide CAS Name: 4-(3,4-dimethylanilino)-7-(4-methylsulfonylphenyl)-3-quinolinecarboxamide IUPAC Name: 4-(3,4-dimethylanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide Traditional Name: 4-(3,4-dimethylanilino)-7-(4-mesylphenyl)quinoline-3-carboxamide Formula: C25H23N3O3S MolecularWeight: 445.53342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=C3C=CC(=CC3=NC=C2C(=O)N)C4=CC=C(C=C4)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=C3C=CC(=CC3=NC=C2C(=O)N)C4=CC=C(C=C4)S(=O)(=O)C)C

InChI

InChI=1S/C25H23N3O3S/c1-15-4-8-19(12-16(15)2)28-24-21-11-7-18(13-23(21)27-14-22(24)25(26)29)17-5-9-20(10-6-17)32(3,30)31/h4-14H,1-3H3,(H2,26,29)(H,27,28)