propan-2-yl 4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-(4-tosylpiperazin-1-ium-1-yl)acetyl]amino]benzoic acid isopropyl ester Formula: C23H30N3O5S+ MolecularWeight: 460.5664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)C(=O)OC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)C(=O)OC(C)C

InChI

InChI=1S/C23H29N3O5S/c1-17(2)31-23(28)19-6-8-20(9-7-19)24-22(27)16-25-12-14-26(15-13-25)32(29,30)21-10-4-18(3)5-11-21/h4-11,17H,12-16H2,1-3H3,(H,24,27)/p+1