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

Systemtic Name: N,N-diethyl-4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-[4-(o-tolylmethyl)piperazin-1-yl]benzenesulfonamide CAS Name: N,N-diethyl-4-[4-[(2-methylphenyl)methyl]-1-piperazinyl]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[4-(2-methylbenzyl)piperazino]-3-nitro-benzenesulfonamide Formula: C22H30N4O4S MolecularWeight: 446.563

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3C)[N+](=O)[O-]

InChI

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