4-fluoranyl-N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 4-fluoranyl-N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 4-fluoro-N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]benzothiophene-2-carboxamide CAS Name: 4-fluoro-N-[2-methoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 4-fluoro-N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-benzothiophene-2-carboxamide Traditional Name: 4-fluoro-N-[2-methoxy-5-(4-methylpiperazino)sulfonyl-phenyl]benzothiophene-2-carboxamide Formula: C21H22FN3O4S2 MolecularWeight: 463.545483

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)C3=CC4=C(C=CC=C4S3)F

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)C3=CC4=C(C=CC=C4S3)F

InChI

InChI=1S/C21H22FN3O4S2/c1-24-8-10-25(11-9-24)31(27,28)14-6-7-18(29-2)17(12-14)23-21(26)20-13-15-16(22)4-3-5-19(15)30-20/h3-7,12-13H,8-11H2,1-2H3,(H,23,26)