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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-homoveratryl-4-pyrrolidinosulfonyl-benzamide Formula: C21H26N2O5S MolecularWeight: 418.50654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-27-19-10-5-16(15-20(19)28-2)11-12-22-21(24)17-6-8-18(9-7-17)29(25,26)23-13-3-4-14-23/h5-10,15H,3-4,11-14H2,1-2H3,(H,22,24)