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

Systemtic Name: propan-2-yl 4-[2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[4-(4-propylphenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]benzoic acid isopropyl ester Formula: C25H34N3O5S+ MolecularWeight: 488.61956

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)C(=O)OC(C)C

Isomeric SMILES

CCCC1=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/C25H33N3O5S/c1-4-5-20-6-12-23(13-7-20)34(31,32)28-16-14-27(15-17-28)18-24(29)26-22-10-8-21(9-11-22)25(30)33-19(2)3/h6-13,19H,4-5,14-18H2,1-3H3,(H,26,29)/p+1