N-(3-chloranyl-4-fluoranyl-phenyl)-N-[2-(4-methanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]-3,4-dimethoxy-benzenesulfonamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-N-[2-(4-methanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]-3,4-dimethoxy-benzenesulfonamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxo-ethyl]-3,4-dimethoxy-benzenesulfonamide CAS Name: N-(3-chloro-4-fluorophenyl)-N-[2-(4-formyl-1-piperazinyl)-2-oxoethyl]-3,4-dimethoxybenzenesulfonamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzenesulfonamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-N-[2-(4-formylpiperazino)-2-keto-ethyl]-3,4-dimethoxy-benzenesulfonamide Formula: C21H23ClFN3O6S MolecularWeight: 499.940223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClFN3O6S/c1-31-19-6-4-16(12-20(19)32-2)33(29,30)26(15-3-5-18(23)17(22)11-15)13-21(28)25-9-7-24(14-27)8-10-25/h3-6,11-12,14H,7-10,13H2,1-2H3