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

Systemtic Name: propan-2-yl 4-[[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbonylamino]benzoate Openeye Name: isopropyl 4-[[3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoyl]amino]benzoate CAS Name: 4-[[[3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-oxomethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoyl]amino]benzoate Traditional Name: 4-[[3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoyl]amino]benzoic acid isopropyl ester Formula: C22H28N3O5S+ MolecularWeight: 446.53982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C22H27N3O5S/c1-16(2)30-22(27)17-7-9-19(10-8-17)23-21(26)18-5-4-6-20(15-18)31(28,29)25-13-11-24(3)12-14-25/h4-10,15-16H,11-14H2,1-3H3,(H,23,26)/p+1