N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-nitro-benzenesulfonamide Openeye Name: N-[2-(4-methylpiperazin-1-yl)-2-(p-tolyl)ethyl]-4-nitro-benzenesulfonamide CAS Name: N-[2-(4-methylphenyl)-2-(4-methyl-1-piperazinyl)ethyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-nitrobenzenesulfonamide Traditional Name: N-[2-(4-methylpiperazino)-2-(p-tolyl)ethyl]-4-nitro-benzenesulfonamide Formula: C20H26N4O4S MolecularWeight: 418.50984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])N3CCN(CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])N3CCN(CC3)C

InChI

InChI=1S/C20H26N4O4S/c1-16-3-5-17(6-4-16)20(23-13-11-22(2)12-14-23)15-21-29(27,28)19-9-7-18(8-10-19)24(25)26/h3-10,20-21H,11-15H2,1-2H3