methyl 4-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)methyl]benzoic acid methyl ester Formula: C22H29N2O4S+ MolecularWeight: 417.54166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H28N2O4S/c1-17(2)19-8-10-21(11-9-19)29(26,27)24-14-12-23(13-15-24)16-18-4-6-20(7-5-18)22(25)28-3/h4-11,17H,12-16H2,1-3H3/p+1