4-[(2-fluoranyl-4-methyl-phenyl)amino]-7-methoxy-6-(4-methylsulfonylpiperazin-1-yl)cinnoline-3-carboxamide

Systemtic Name: 4-[(2-fluoranyl-4-methyl-phenyl)amino]-7-methoxy-6-(4-methylsulfonylpiperazin-1-yl)cinnoline-3-carboxamide Openeye Name: 4-(2-fluoro-4-methyl-anilino)-7-methoxy-6-(4-methylsulfonylpiperazin-1-yl)cinnoline-3-carboxamide CAS Name: 4-(2-fluoro-4-methylanilino)-7-methoxy-6-(4-methylsulfonyl-1-piperazinyl)-3-cinnolinecarboxamide IUPAC Name: 4-(2-fluoro-4-methylanilino)-7-methoxy-6-(4-methylsulfonylpiperazin-1-yl)cinnoline-3-carboxamide Traditional Name: 4-(2-fluoro-4-methyl-anilino)-6-(4-mesylpiperazino)-7-methoxy-cinnoline-3-carboxamide Formula: C22H25FN6O4S MolecularWeight: 488.535103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C(N=NC3=CC(=C(C=C32)N4CCN(CC4)S(=O)(=O)C)OC)C(=O)N)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C(N=NC3=CC(=C(C=C32)N4CCN(CC4)S(=O)(=O)C)OC)C(=O)N)F

InChI

InChI=1S/C22H25FN6O4S/c1-13-4-5-16(15(23)10-13)25-20-14-11-18(28-6-8-29(9-7-28)34(3,31)32)19(33-2)12-17(14)26-27-21(20)22(24)30/h4-5,10-12H,6-9H2,1-3H3,(H2,24,30)(H,25,26)