N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1-pyrrolidinylsulfonyl)benzenesulfonamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide Traditional Name: N-homoveratryl-4-pyrrolidinosulfonyl-benzenesulfonamide Formula: C20H26N2O6S2 MolecularWeight: 454.56024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)OC

InChI

InChI=1S/C20H26N2O6S2/c1-27-19-10-5-16(15-20(19)28-2)11-12-21-29(23,24)17-6-8-18(9-7-17)30(25,26)22-13-3-4-14-22/h5-10,15,21H,3-4,11-14H2,1-2H3