3-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylbenzenesulfonamide

Systemtic Name: 3-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylbenzenesulfonamide Openeye Name: 3-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylbenzenesulfonamide CAS Name: 3-[[(2R)-2-(2,4-dimethoxyphenyl)-1-pyrrolidinyl]sulfonyl]benzenesulfonamide IUPAC Name: 3-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylbenzenesulfonamide Traditional Name: 3-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidino]sulfonylbenzenesulfonamide Formula: C18H22N2O6S2 MolecularWeight: 426.50708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CCCN2S(=O)(=O)C3=CC(=CC=C3)S(=O)(=O)N)OC

Isomeric SMILES

COC1=CC(=C(C=C1)[C@H]2CCCN2S(=O)(=O)C3=CC(=CC=C3)S(=O)(=O)N)OC

InChI

InChI=1S/C18H22N2O6S2/c1-25-13-8-9-16(18(11-13)26-2)17-7-4-10-20(17)28(23,24)15-6-3-5-14(12-15)27(19,21)22/h3,5-6,8-9,11-12,17H,4,7,10H2,1-2H3,(H2,19,21,22)/t17-/m1/s1