N-[2-[4-(4-fluoranyl-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N-phenyl-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[4-(4-fluoranyl-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N-phenyl-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[4-(4-fluoro-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxo-ethyl]-N-phenyl-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)-1-piperazinyl]-2-oxoethyl]-N-phenyl-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)piperazin-1-yl]-2-oxoethyl]-N-phenyl-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[4-(4-fluoro-2-mesyl-phenyl)piperazino]-2-keto-ethyl]-N-phenyl-piperonylamide Formula: C27H26FN3O6S MolecularWeight: 539.575243

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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)OCO5

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)OCO5

InChI

InChI=1S/C27H26FN3O6S/c1-38(34,35)25-16-20(28)8-9-22(25)29-11-13-30(14-12-29)26(32)17-31(21-5-3-2-4-6-21)27(33)19-7-10-23-24(15-19)37-18-36-23/h2-10,15-16H,11-14,17-18H2,1H3