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

Systemtic Name: butyl 4-[[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbonylamino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C23H30N3O5S+ MolecularWeight: 460.5664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O5S/c1-3-4-16-31-23(28)18-8-10-20(11-9-18)24-22(27)19-6-5-7-21(17-19)32(29,30)26-14-12-25(2)13-15-26/h5-11,17H,3-4,12-16H2,1-2H3,(H,24,27)/p+1