N-(2,4-dimethylphenyl)-4-[[1-(2-methylpropyl)piperidin-1-ium-4-yl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: N-(2,4-dimethylphenyl)-4-[[1-(2-methylpropyl)piperidin-1-ium-4-yl]amino]-3-nitro-benzenesulfonamide Openeye Name: N-(2,4-dimethylphenyl)-4-[(1-isobutylpiperidin-1-ium-4-yl)amino]-3-nitro-benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-4-[[1-(2-methylpropyl)-4-piperidin-1-iumyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N-(2,4-dimethylphenyl)-4-[[1-(2-methylpropyl)piperidin-1-ium-4-yl]amino]-3-nitrobenzenesulfonamide Traditional Name: N-(2,4-dimethylphenyl)-4-[(1-isobutylpiperidin-1-ium-4-yl)amino]-3-nitro-benzenesulfonamide Formula: C23H33N4O4S+ MolecularWeight: 461.59752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NC3CC[NH+](CC3)CC(C)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NC3CC[NH+](CC3)CC(C)C)[N+](=O)[O-])C

InChI

InChI=1S/C23H32N4O4S/c1-16(2)15-26-11-9-19(10-12-26)24-22-8-6-20(14-23(22)27(28)29)32(30,31)25-21-7-5-17(3)13-18(21)4/h5-8,13-14,16,19,24-25H,9-12,15H2,1-4H3/p+1