[2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(prop-2-ynylsulfamoyl)benzoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(prop-2-ynylsulfamoyl)benzoate Openeye Name: [2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 4-(prop-2-ynylsulfamoyl)benzoate CAS Name: 4-(prop-2-ynylsulfamoyl)benzoic acid [2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(prop-2-ynylsulfamoyl)benzoate Traditional Name: 4-(propargylsulfamoyl)benzoic acid [2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3

Isomeric SMILES

C#CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3

InChI

InChI=1S/C21H20N2O5S/c1-2-14-22-29(26,27)18-12-8-16(9-13-18)21(25)28-19(15-6-4-3-5-7-15)20(24)23-17-10-11-17/h1,3-9,12-13,17,19,22H,10-11,14H2,(H,23,24)