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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O6S2/c1-25-17-10-5-13(12-18(17)26-2)16-4-3-11-20(16)28(23,24)15-8-6-14(7-9-15)27(19,21)22/h5-10,12,16H,3-4,11H2,1-2H3,(H2,19,21,22)