1-(5-bromanylthiophen-2-yl)sulfonyl-N-[(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide

Systemtic Name: 1-(5-bromanylthiophen-2-yl)sulfonyl-N-[(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide Openeye Name: 1-[(5-bromo-2-thienyl)sulfonyl]-N-[(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide CAS Name: 1-[(5-bromo-2-thiophenyl)sulfonyl]-N-[(3,4-dimethoxyphenyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(5-bromothiophen-2-yl)sulfonyl-N-[(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide Traditional Name: 1-[(5-bromo-2-thienyl)sulfonyl]-N-veratryl-pyrrolidine-2-carboxamide Formula: C18H21BrN2O5S2 MolecularWeight: 489.40374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2CCCN2S(=O)(=O)C3=CC=C(S3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2CCCN2S(=O)(=O)C3=CC=C(S3)Br)OC

InChI

InChI=1S/C18H21BrN2O5S2/c1-25-14-6-5-12(10-15(14)26-2)11-20-18(22)13-4-3-9-21(13)28(23,24)17-8-7-16(19)27-17/h5-8,10,13H,3-4,9,11H2,1-2H3,(H,20,22)