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

Systemtic Name: 4-methyl-N-[4-methylsulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]benzenesulfonamide Openeye Name: 4-methyl-N-[3-methylsulfanyl-1-[4-(4-nitrophenyl)piperazine-1-carbonyl]propyl]benzenesulfonamide CAS Name: 4-methyl-N-[4-(methylthio)-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxobutan-2-yl]benzenesulfonamide IUPAC Name: 4-methyl-N-[4-methylsulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxobutan-2-yl]benzenesulfonamide Traditional Name: 4-methyl-N-[3-(methylthio)-1-[4-(4-nitrophenyl)piperazine-1-carbonyl]propyl]benzenesulfonamide Formula: C22H28N4O5S2 MolecularWeight: 492.61152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O5S2/c1-17-3-9-20(10-4-17)33(30,31)23-21(11-16-32-2)22(27)25-14-12-24(13-15-25)18-5-7-19(8-6-18)26(28)29/h3-10,21,23H,11-16H2,1-2H3