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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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