N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-3,4-dimethyl-benzenesulfonamide

Systemtic Name: N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-3,4-dimethyl-benzenesulfonamide Openeye Name: N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-3,4-dimethyl-benzenesulfonamide CAS Name: N-[2-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]ethyl]-3,4-dimethylbenzenesulfonamide IUPAC Name: N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-3,4-dimethylbenzenesulfonamide Traditional Name: N-[2-[4-(4-fluorophenyl)piperazino]sulfonylethyl]-3,4-dimethyl-benzenesulfonamide Formula: C20H26FN3O4S2 MolecularWeight: 455.566543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26FN3O4S2/c1-16-3-8-20(15-17(16)2)30(27,28)22-9-14-29(25,26)24-12-10-23(11-13-24)19-6-4-18(21)5-7-19/h3-8,15,22H,9-14H2,1-2H3