N-methyl-4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethylamino]-3-nitro-benzenesulfonamide

Systemtic Name: N-methyl-4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethylamino]-3-nitro-benzenesulfonamide Openeye Name: N-methyl-4-[2-[4-(m-tolyl)piperazin-1-yl]ethylamino]-3-nitro-benzenesulfonamide CAS Name: N-methyl-4-[2-[4-(3-methylphenyl)-1-piperazinyl]ethylamino]-3-nitrobenzenesulfonamide IUPAC Name: N-methyl-4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethylamino]-3-nitrobenzenesulfonamide Traditional Name: N-methyl-4-[2-[4-(m-tolyl)piperazino]ethylamino]-3-nitro-benzenesulfonamide Formula: C20H27N5O4S MolecularWeight: 433.52448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCNC3=C(C=C(C=C3)S(=O)(=O)NC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCNC3=C(C=C(C=C3)S(=O)(=O)NC)[N+](=O)[O-]

InChI

InChI=1S/C20H27N5O4S/c1-16-4-3-5-17(14-16)24-12-10-23(11-13-24)9-8-22-19-7-6-18(30(28,29)21-2)15-20(19)25(26)27/h3-7,14-15,21-22H,8-13H2,1-2H3