[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(1-pyrrolidinyl)benzoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-pyrrolidino-benzoic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C20H22N4O5S2 MolecularWeight: 462.54248

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C20H22N4O5S2/c1-23(2)31(27,28)15-5-6-17(24-8-3-4-9-24)16(11-15)20(26)29-13-18(25)22-19-14(12-21)7-10-30-19/h5-7,10-11H,3-4,8-9,13H2,1-2H3,(H,22,25)