N-(4-ethoxyphenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-methylsulfanyl-benzenesulfonamide

Systemtic Name: N-(4-ethoxyphenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-methylsulfanyl-benzenesulfonamide Openeye Name: N-(4-ethoxyphenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]-4-methylsulfanyl-benzenesulfonamide CAS Name: N-(4-ethoxyphenyl)-N-[2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl]-4-(methylthio)benzenesulfonamide IUPAC Name: N-(4-ethoxyphenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methylsulfanylbenzenesulfonamide Traditional Name: N-[2-[4-(2-fluorophenyl)piperazino]-2-keto-ethyl]-4-(methylthio)-N-p-phenetyl-benzenesulfonamide Formula: C27H30FN3O4S2 MolecularWeight: 543.673203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CC(=O)N2CCN(CC2)C3=CC=CC=C3F)S(=O)(=O)C4=CC=C(C=C4)SC

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CC(=O)N2CCN(CC2)C3=CC=CC=C3F)S(=O)(=O)C4=CC=C(C=C4)SC

InChI

InChI=1S/C27H30FN3O4S2/c1-3-35-22-10-8-21(9-11-22)31(37(33,34)24-14-12-23(36-2)13-15-24)20-27(32)30-18-16-29(17-19-30)26-7-5-4-6-25(26)28/h4-15H,3,16-20H2,1-2H3