N-(4-fluorophenyl)-N-[4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butyl]methanesulfonamide

Systemtic Name: N-(4-fluorophenyl)-N-[4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butyl]methanesulfonamide Openeye Name: N-(4-fluorophenyl)-N-[4-oxo-4-[4-(p-tolylsulfonyl)piperazin-1-yl]butyl]methanesulfonamide CAS Name: N-(4-fluorophenyl)-N-[4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-4-oxobutyl]methanesulfonamide IUPAC Name: N-(4-fluorophenyl)-N-[4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutyl]methanesulfonamide Traditional Name: N-(4-fluorophenyl)-N-[4-keto-4-(4-tosylpiperazino)butyl]methanesulfonamide Formula: C22H28FN3O5S2 MolecularWeight: 497.603223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCN(C3=CC=C(C=C3)F)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCN(C3=CC=C(C=C3)F)S(=O)(=O)C

InChI

InChI=1S/C22H28FN3O5S2/c1-18-5-11-21(12-6-18)33(30,31)25-16-14-24(15-17-25)22(27)4-3-13-26(32(2,28)29)20-9-7-19(23)8-10-20/h5-12H,3-4,13-17H2,1-2H3