N-[2-[4-(4-fluoranyl-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N-phenyl-isoquinoline-7-carboxamide

Systemtic Name: N-[2-[4-(4-fluoranyl-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N-phenyl-isoquinoline-7-carboxamide Openeye Name: N-[2-[4-(4-fluoro-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxo-ethyl]-N-phenyl-isoquinoline-7-carboxamide CAS Name: N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)-1-piperazinyl]-2-oxoethyl]-N-phenyl-7-isoquinolinecarboxamide IUPAC Name: N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylisoquinoline-7-carboxamide Traditional Name: N-[2-[4-(4-fluoro-2-mesyl-phenyl)piperazino]-2-keto-ethyl]-N-phenyl-isoquinoline-7-carboxamide Formula: C29H27FN4O4S MolecularWeight: 546.612483

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)F)N2CCN(CC2)C(=O)CN(C3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)C=CN=C5

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)F)N2CCN(CC2)C(=O)CN(C3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)C=CN=C5

InChI

InChI=1S/C29H27FN4O4S/c1-39(37,38)27-18-24(30)9-10-26(27)32-13-15-33(16-14-32)28(35)20-34(25-5-3-2-4-6-25)29(36)22-8-7-21-11-12-31-19-23(21)17-22/h2-12,17-19H,13-16,20H2,1H3