(phenylmethyl) 4-(2-chloroethylsulfamoyl)-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (phenylmethyl) 4-(2-chloroethylsulfamoyl)-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: benzyl 2-(benzyloxycarbonylamino)-4-(2-chloroethylsulfamoyl)butanoate CAS Name: 4-(2-chloroethylsulfamoyl)-2-(phenylmethoxycarbonylamino)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(2-chloroethylsulfamoyl)-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-4-(2-chloroethylsulfamoyl)butyric acid benzyl ester Formula: C21H25ClN2O6S MolecularWeight: 468.951

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CCS(=O)(=O)NCCCl)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CCS(=O)(=O)NCCCl)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H25ClN2O6S/c22-12-13-23-31(27,28)14-11-19(20(25)29-15-17-7-3-1-4-8-17)24-21(26)30-16-18-9-5-2-6-10-18/h1-10,19,23H,11-16H2,(H,24,26)