5-cyano-N-[(3,4-dimethoxyphenyl)methyl]-2-[(1-methylsulfonylpyrrolidin-3-yl)amino]benzamide

Systemtic Name: 5-cyano-N-[(3,4-dimethoxyphenyl)methyl]-2-[(1-methylsulfonylpyrrolidin-3-yl)amino]benzamide Openeye Name: 5-cyano-N-[(3,4-dimethoxyphenyl)methyl]-2-[(1-methylsulfonylpyrrolidin-3-yl)amino]benzamide CAS Name: 5-cyano-N-[(3,4-dimethoxyphenyl)methyl]-2-[(1-methylsulfonyl-3-pyrrolidinyl)amino]benzamide IUPAC Name: 5-cyano-N-[(3,4-dimethoxyphenyl)methyl]-2-[(1-methylsulfonylpyrrolidin-3-yl)amino]benzamide Traditional Name: 5-cyano-2-[(1-mesylpyrrolidin-3-yl)amino]-N-veratryl-benzamide Formula: C22H26N4O5S MolecularWeight: 458.53064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)C#N)NC3CCN(C3)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)C#N)NC3CCN(C3)S(=O)(=O)C)OC

InChI

InChI=1S/C22H26N4O5S/c1-30-20-7-5-16(11-21(20)31-2)13-24-22(27)18-10-15(12-23)4-6-19(18)25-17-8-9-26(14-17)32(3,28)29/h4-7,10-11,17,25H,8-9,13-14H2,1-3H3,(H,24,27)