N-(4-methoxyphenyl)-4-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-(4-methoxyphenyl)-4-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-3-nitro-benzenesulfonamide Openeye Name: N-(4-methoxyphenyl)-4-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-3-nitro-benzenesulfonamide CAS Name: N-(4-methoxyphenyl)-4-methyl-N-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-3-nitrobenzenesulfonamide IUPAC Name: N-(4-methoxyphenyl)-4-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-3-nitrobenzenesulfonamide Traditional Name: N-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-N-(4-methoxyphenyl)-4-methyl-3-nitro-benzenesulfonamide Formula: C21H27N4O6S+ MolecularWeight: 463.52728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)N2CC[NH+](CC2)C)C3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)N2CC[NH+](CC2)C)C3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O6S/c1-16-4-9-19(14-20(16)25(27)28)32(29,30)24(17-5-7-18(31-3)8-6-17)15-21(26)23-12-10-22(2)11-13-23/h4-9,14H,10-13,15H2,1-3H3/p+1