5-chloranyl-N-[(4-fluorophenyl)methyl]-2-methoxy-N-(3-oxidanylidene-3-piperazin-1-yl-propyl)benzenesulfonamide

Systemtic Name: 5-chloranyl-N-[(4-fluorophenyl)methyl]-2-methoxy-N-(3-oxidanylidene-3-piperazin-1-yl-propyl)benzenesulfonamide Openeye Name: 5-chloro-N-[(4-fluorophenyl)methyl]-2-methoxy-N-(3-oxo-3-piperazin-1-yl-propyl)benzenesulfonamide CAS Name: 5-chloro-N-[(4-fluorophenyl)methyl]-2-methoxy-N-[3-oxo-3-(1-piperazinyl)propyl]benzenesulfonamide IUPAC Name: 5-chloro-N-[(4-fluorophenyl)methyl]-2-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide Traditional Name: 5-chloro-N-(4-fluorobenzyl)-N-(3-keto-3-piperazino-propyl)-2-methoxy-benzenesulfonamide Formula: C21H25ClFN3O4S MolecularWeight: 469.957303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)S(=O)(=O)N(CCC(=O)N2CCNCC2)CC3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)S(=O)(=O)N(CCC(=O)N2CCNCC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H25ClFN3O4S/c1-30-19-7-4-17(22)14-20(19)31(28,29)26(15-16-2-5-18(23)6-3-16)11-8-21(27)25-12-9-24-10-13-25/h2-7,14,24H,8-13,15H2,1H3