N-tert-butyl-4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-3-nitro-4-(4-veratrylpiperazin-4-ium-1-yl)benzenesulfonamide Formula: C23H33N4O6S+ MolecularWeight: 493.59632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H32N4O6S/c1-23(2,3)24-34(30,31)18-7-8-19(20(15-18)27(28)29)26-12-10-25(11-13-26)16-17-6-9-21(32-4)22(14-17)33-5/h6-9,14-15,24H,10-13,16H2,1-5H3/p+1