2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl 3,4-dimethoxybenzoate

Systemtic Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl 3,4-dimethoxybenzoate Openeye Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid 2-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]ethyl ester IUPAC Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl ester Formula: C21H26ClN2O6S+ MolecularWeight: 469.95894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C21H25ClN2O6S/c1-28-19-8-3-16(15-20(19)29-2)21(25)30-14-13-23-9-11-24(12-10-23)31(26,27)18-6-4-17(22)5-7-18/h3-8,15H,9-14H2,1-2H3/p+1