methyl 4,5-dimethoxy-2-[[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbonylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbonylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[[3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[[[3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[[3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoyl]amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoyl]amino]benzoic acid methyl ester Formula: C22H28N3O7S+ MolecularWeight: 478.53862

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3C(=O)OC)OC)OC

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3C(=O)OC)OC)OC

InChI

InChI=1S/C22H27N3O7S/c1-24-8-10-25(11-9-24)33(28,29)16-7-5-6-15(12-16)21(26)23-18-14-20(31-3)19(30-2)13-17(18)22(27)32-4/h5-7,12-14H,8-11H2,1-4H3,(H,23,26)/p+1