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

Systemtic Name: N-(2,4-dimethylphenyl)-4-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N-(2,4-dimethylphenyl)-4-[4-(2-furylmethyl)piperazin-4-ium-1-yl]-3-nitro-benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-4-[4-(2-furanylmethyl)-1-piperazin-4-iumyl]-3-nitrobenzenesulfonamide IUPAC Name: N-(2,4-dimethylphenyl)-4-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N-(2,4-dimethylphenyl)-4-[4-(2-furfuryl)piperazin-4-ium-1-yl]-3-nitro-benzenesulfonamide Formula: C23H27N4O5S+ MolecularWeight: 471.54928

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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=CO4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)CC4=CC=CO4)[N+](=O)[O-])C

InChI

InChI=1S/C23H26N4O5S/c1-17-5-7-21(18(2)14-17)24-33(30,31)20-6-8-22(23(15-20)27(28)29)26-11-9-25(10-12-26)16-19-4-3-13-32-19/h3-8,13-15,24H,9-12,16H2,1-2H3/p+1