N-(2,4-dimethylphenyl)-3-nitro-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzenesulfonamide

Systemtic Name: N-(2,4-dimethylphenyl)-3-nitro-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzenesulfonamide Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-3-nitro-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]benzenesulfonamide IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-N-(2,4-dimethylphenyl)-3-nitrobenzenesulfonamide Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide Formula: C25H29N4O4S+ MolecularWeight: 481.58716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C25H28N4O4S/c1-19-8-10-23(20(2)16-19)26-34(32,33)22-9-11-24(25(17-22)29(30)31)28-14-12-27(13-15-28)18-21-6-4-3-5-7-21/h3-11,16-17,26H,12-15,18H2,1-2H3/p+1