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

Systemtic Name: methyl 2-[[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbonylamino]benzoate Openeye Name: methyl 2-[[3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoyl]amino]benzoate CAS Name: 2-[[[3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoyl]amino]benzoate Traditional Name: 2-[[3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoyl]amino]benzoic acid methyl ester Formula: C20H24N3O5S+ MolecularWeight: 418.48666

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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=CC=C3C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S/c1-22-10-12-23(13-11-22)29(26,27)16-7-5-6-15(14-16)19(24)21-18-9-4-3-8-17(18)20(25)28-2/h3-9,14H,10-13H2,1-2H3,(H,21,24)/p+1