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

Systemtic Name: 5-cyano-N-[(3,4-dimethoxyphenyl)methyl]-2-[(1-sulfamoylpyrrolidin-3-yl)amino]benzamide Openeye Name: 5-cyano-N-[(3,4-dimethoxyphenyl)methyl]-2-[(1-sulfamoylpyrrolidin-3-yl)amino]benzamide CAS Name: 5-cyano-N-[(3,4-dimethoxyphenyl)methyl]-2-[(1-sulfamoyl-3-pyrrolidinyl)amino]benzamide IUPAC Name: 5-cyano-N-[(3,4-dimethoxyphenyl)methyl]-2-[(1-sulfamoylpyrrolidin-3-yl)amino]benzamide Traditional Name: 5-cyano-2-[(1-sulfamoylpyrrolidin-3-yl)amino]-N-veratryl-benzamide Formula: C21H25N5O5S MolecularWeight: 459.5187

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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)N)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O5S/c1-30-19-6-4-15(10-20(19)31-2)12-24-21(27)17-9-14(11-22)3-5-18(17)25-16-7-8-26(13-16)32(23,28)29/h3-6,9-10,16,25H,7-8,12-13H2,1-2H3,(H,24,27)(H2,23,28,29)