[(3R)-1-methylpiperidin-1-ium-3-yl] 2-[(3,4-dimethoxyphenyl)sulfonylamino]benzoate

Systemtic Name: [(3R)-1-methylpiperidin-1-ium-3-yl] 2-[(3,4-dimethoxyphenyl)sulfonylamino]benzoate Openeye Name: [(3R)-1-methylpiperidin-1-ium-3-yl] 2-[(3,4-dimethoxyphenyl)sulfonylamino]benzoate CAS Name: 2-[(3,4-dimethoxyphenyl)sulfonylamino]benzoic acid [(3R)-1-methyl-3-piperidin-1-iumyl] ester IUPAC Name: [(3R)-1-methylpiperidin-1-ium-3-yl] 2-[(3,4-dimethoxyphenyl)sulfonylamino]benzoate Traditional Name: 2-[(3,4-dimethoxyphenyl)sulfonylamino]benzoic acid [(3R)-1-methylpiperidin-1-ium-3-yl] ester Formula: C21H27N2O6S+ MolecularWeight: 435.51388

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)OC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[NH+]1CCC[C@H](C1)OC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H26N2O6S/c1-23-12-6-7-15(14-23)29-21(24)17-8-4-5-9-18(17)22-30(25,26)16-10-11-19(27-2)20(13-16)28-3/h4-5,8-11,13,15,22H,6-7,12,14H2,1-3H3/p+1/t15-/m1/s1