4-(3,4-dimethoxyphenyl)sulfonyl-N-(3-fluoranyl-4-methoxy-phenyl)piperazine-1-carboxamide

Systemtic Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-(3-fluoranyl-4-methoxy-phenyl)piperazine-1-carboxamide Openeye Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-(3-fluoro-4-methoxy-phenyl)piperazine-1-carboxamide CAS Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-(3-fluoro-4-methoxyphenyl)-1-piperazinecarboxamide IUPAC Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-(3-fluoro-4-methoxyphenyl)piperazine-1-carboxamide Traditional Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-(3-fluoro-4-methoxy-phenyl)piperazine-1-carboxamide Formula: C20H24FN3O6S MolecularWeight: 453.484463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NC3=CC(=C(C=C3)OC)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NC3=CC(=C(C=C3)OC)F)OC

InChI

InChI=1S/C20H24FN3O6S/c1-28-17-6-4-14(12-16(17)21)22-20(25)23-8-10-24(11-9-23)31(26,27)15-5-7-18(29-2)19(13-15)30-3/h4-7,12-13H,8-11H2,1-3H3,(H,22,25)