5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-6-[[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]-methylsulfonyl-amino]-1-benzofuran-3-carboxamide

Systemtic Name: 5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-6-[[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]-methylsulfonyl-amino]-1-benzofuran-3-carboxamide Openeye Name: 5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-6-[[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-methylsulfonyl-amino]benzofuran-3-carboxamide CAS Name: 5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-6-[[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-methylsulfonylamino]-3-benzofurancarboxamide IUPAC Name: 5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-6-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-methylsulfonylamino]-1-benzofuran-3-carboxamide Traditional Name: 5-cyclopropyl-2-(4-fluorophenyl)-6-[[2-keto-2-(4-methylpiperazino)ethyl]-mesyl-amino]-N-methyl-benzofuran-3-carboxamide Formula: C27H31FN4O5S MolecularWeight: 542.622243

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=C(OC2=CC(=C(C=C21)C3CC3)N(CC(=O)N4CCN(CC4)C)S(=O)(=O)C)C5=CC=C(C=C5)F

Isomeric SMILES

CNC(=O)C1=C(OC2=CC(=C(C=C21)C3CC3)N(CC(=O)N4CCN(CC4)C)S(=O)(=O)C)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H31FN4O5S/c1-29-27(34)25-21-14-20(17-4-5-17)22(15-23(21)37-26(25)18-6-8-19(28)9-7-18)32(38(3,35)36)16-24(33)31-12-10-30(2)11-13-31/h6-9,14-15,17H,4-5,10-13,16H2,1-3H3,(H,29,34)