N-[1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[1-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-3-methylsulfanyl-propyl]-4-methyl-benzenesulfonamide CAS Name: N-[1-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-4-(methylthio)-1-oxobutan-2-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[1-[4-(2-fluorobenzyl)piperazine-1-carbonyl]-3-(methylthio)propyl]-4-methyl-benzenesulfonamide Formula: C23H30FN3O3S2 MolecularWeight: 479.631003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)N2CCN(CC2)CC3=CC=CC=C3F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)N2CCN(CC2)CC3=CC=CC=C3F

InChI

InChI=1S/C23H30FN3O3S2/c1-18-7-9-20(10-8-18)32(29,30)25-22(11-16-31-2)23(28)27-14-12-26(13-15-27)17-19-5-3-4-6-21(19)24/h3-10,22,25H,11-17H2,1-2H3