[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-(propan-2-ylsulfamoyl)benzoate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-(propan-2-ylsulfamoyl)benzoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 3-(isopropylsulfamoyl)benzoate CAS Name: 3-(propan-2-ylsulfamoyl)benzoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 3-(propan-2-ylsulfamoyl)benzoate Traditional Name: 3-(isopropylsulfamoyl)benzoic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C20H21N3O5S/c1-14(2)23-29(26,27)18-5-3-4-16(12-18)20(25)28-13-19(24)22-17-8-6-15(7-9-17)10-11-21/h3-9,12,14,23H,10,13H2,1-2H3,(H,22,24)