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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylsulfonyl-N-(2-thienylmethyl)benzenesulfonamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1-pyrrolidinylsulfonyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide Traditional Name: N-homoveratryl-4-pyrrolidinosulfonyl-N-(2-thenyl)benzenesulfonamide Formula: C25H30N2O6S3 MolecularWeight: 550.7105

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN(CC2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN(CC2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)OC

InChI

InChI=1S/C25H30N2O6S3/c1-32-24-12-7-20(18-25(24)33-2)13-16-27(19-21-6-5-17-34-21)36(30,31)23-10-8-22(9-11-23)35(28,29)26-14-3-4-15-26/h5-12,17-18H,3-4,13-16,19H2,1-2H3