N-(3-fluorophenyl)-N-[2-(4-methanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]-4-methylsulfanyl-benzenesulfonamide

Systemtic Name: N-(3-fluorophenyl)-N-[2-(4-methanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]-4-methylsulfanyl-benzenesulfonamide Openeye Name: N-(3-fluorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxo-ethyl]-4-methylsulfanyl-benzenesulfonamide CAS Name: N-(3-fluorophenyl)-N-[2-(4-formyl-1-piperazinyl)-2-oxoethyl]-4-(methylthio)benzenesulfonamide IUPAC Name: N-(3-fluorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-4-methylsulfanylbenzenesulfonamide Traditional Name: N-(3-fluorophenyl)-N-[2-(4-formylpiperazino)-2-keto-ethyl]-4-(methylthio)benzenesulfonamide Formula: C20H22FN3O4S2 MolecularWeight: 451.534783

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCN(CC2)C=O)C3=CC(=CC=C3)F

Isomeric SMILES

CSC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCN(CC2)C=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C20H22FN3O4S2/c1-29-18-5-7-19(8-6-18)30(27,28)24(17-4-2-3-16(21)13-17)14-20(26)23-11-9-22(15-25)10-12-23/h2-8,13,15H,9-12,14H2,1H3