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

Systemtic Name: 4-methyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-3-nitro-benzenesulfonamide Openeye Name: 4-methyl-N-[3-[4-(m-tolyl)piperazin-1-yl]propyl]-3-nitro-benzenesulfonamide CAS Name: 4-methyl-N-[3-[4-(3-methylphenyl)-1-piperazinyl]propyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-methyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-3-nitrobenzenesulfonamide Traditional Name: 4-methyl-N-[3-[4-(m-tolyl)piperazino]propyl]-3-nitro-benzenesulfonamide Formula: C21H28N4O4S MolecularWeight: 432.53642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O4S/c1-17-5-3-6-19(15-17)24-13-11-23(12-14-24)10-4-9-22-30(28,29)20-8-7-18(2)21(16-20)25(26)27/h3,5-8,15-16,22H,4,9-14H2,1-2H3