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

Systemtic Name: 4-[4-(2-methylphenyl)piperazin-1-yl]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: N-isopropyl-3-nitro-4-[4-(o-tolyl)piperazin-1-yl]benzenesulfonamide CAS Name: 4-[4-(2-methylphenyl)-1-piperazinyl]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[4-(2-methylphenyl)piperazin-1-yl]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: N-isopropyl-3-nitro-4-[4-(o-tolyl)piperazino]benzenesulfonamide Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O4S/c1-15(2)21-29(27,28)17-8-9-19(20(14-17)24(25)26)23-12-10-22(11-13-23)18-7-5-4-6-16(18)3/h4-9,14-15,21H,10-13H2,1-3H3