4-[(3-cyanophenyl)amino]-8-ethyl-6-methylsulfonyl-quinoline-3-carboxamide

Systemtic Name: 4-[(3-cyanophenyl)amino]-8-ethyl-6-methylsulfonyl-quinoline-3-carboxamide Openeye Name: 4-(3-cyanoanilino)-8-ethyl-6-methylsulfonyl-quinoline-3-carboxamide CAS Name: 4-(3-cyanoanilino)-8-ethyl-6-methylsulfonyl-3-quinolinecarboxamide IUPAC Name: 4-(3-cyanoanilino)-8-ethyl-6-methylsulfonylquinoline-3-carboxamide Traditional Name: 4-(3-cyanoanilino)-8-ethyl-6-mesyl-quinoline-3-carboxamide Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)S(=O)(=O)C)C(=C(C=N2)C(=O)N)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CCC1=C2C(=CC(=C1)S(=O)(=O)C)C(=C(C=N2)C(=O)N)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H18N4O3S/c1-3-13-8-15(28(2,26)27)9-16-18(13)23-11-17(20(22)25)19(16)24-14-6-4-5-12(7-14)10-21/h4-9,11H,3H2,1-2H3,(H2,22,25)(H,23,24)