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

Systemtic Name: N,N-diethyl-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[4-(m-tolylmethyl)piperazin-1-yl]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[4-(3-methylbenzyl)piperazino]-3-nitro-benzenesulfonamide Formula: C22H30N4O4S MolecularWeight: 446.563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC(=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC(=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H30N4O4S/c1-4-25(5-2)31(29,30)20-9-10-21(22(16-20)26(27)28)24-13-11-23(12-14-24)17-19-8-6-7-18(3)15-19/h6-10,15-16H,4-5,11-14,17H2,1-3H3