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

Systemtic Name: N-(2,4-dimethylphenyl)-4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N-(2,4-dimethylphenyl)-4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-nitro-benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-4-[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]-3-nitrobenzenesulfonamide IUPAC Name: N-(2,4-dimethylphenyl)-4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N-(2,4-dimethylphenyl)-4-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]-3-nitro-benzenesulfonamide Formula: C25H28FN4O4S+ MolecularWeight: 499.577623

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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=C4F)[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=C4F)[N+](=O)[O-])C

InChI

InChI=1S/C25H27FN4O4S/c1-18-7-9-23(19(2)15-18)27-35(33,34)21-8-10-24(25(16-21)30(31)32)29-13-11-28(12-14-29)17-20-5-3-4-6-22(20)26/h3-10,15-16,27H,11-14,17H2,1-2H3/p+1