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

Systemtic Name: 4-[(2-fluoranyl-4-methyl-phenyl)amino]-7-(4-methylsulfonylpiperazin-1-yl)cinnoline-3-carboxamide Openeye Name: 4-(2-fluoro-4-methyl-anilino)-7-(4-methylsulfonylpiperazin-1-yl)cinnoline-3-carboxamide CAS Name: 4-(2-fluoro-4-methylanilino)-7-(4-methylsulfonyl-1-piperazinyl)-3-cinnolinecarboxamide IUPAC Name: 4-(2-fluoro-4-methylanilino)-7-(4-methylsulfonylpiperazin-1-yl)cinnoline-3-carboxamide Traditional Name: 4-(2-fluoro-4-methyl-anilino)-7-(4-mesylpiperazino)cinnoline-3-carboxamide Formula: C21H23FN6O3S MolecularWeight: 458.509123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C(N=NC3=C2C=CC(=C3)N4CCN(CC4)S(=O)(=O)C)C(=O)N)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C(N=NC3=C2C=CC(=C3)N4CCN(CC4)S(=O)(=O)C)C(=O)N)F

InChI

InChI=1S/C21H23FN6O3S/c1-13-3-6-17(16(22)11-13)24-19-15-5-4-14(12-18(15)25-26-20(19)21(23)29)27-7-9-28(10-8-27)32(2,30)31/h3-6,11-12H,7-10H2,1-2H3,(H2,23,29)(H,24,25)