2,3-dimethyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5-nitro-benzenesulfonamide

Systemtic Name: 2,3-dimethyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5-nitro-benzenesulfonamide Openeye Name: 2,3-dimethyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5-nitro-benzenesulfonamide CAS Name: 2,3-dimethyl-N-[[4-[(4-methyl-1-piperazinyl)methyl]phenyl]methyl]-5-nitrobenzenesulfonamide IUPAC Name: 2,3-dimethyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-5-nitrobenzenesulfonamide Traditional Name: 2,3-dimethyl-N-[4-[(4-methylpiperazino)methyl]benzyl]-5-nitro-benzenesulfonamide Formula: C21H28N4O4S MolecularWeight: 432.53642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NCC2=CC=C(C=C2)CN3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NCC2=CC=C(C=C2)CN3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O4S/c1-16-12-20(25(26)27)13-21(17(16)2)30(28,29)22-14-18-4-6-19(7-5-18)15-24-10-8-23(3)9-11-24/h4-7,12-13,22H,8-11,14-15H2,1-3H3