[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-[[(1R)-1-phenylethyl]sulfamoyl]benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-[[(1R)-1-phenylethyl]sulfamoyl]benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-[[(1R)-1-phenylethyl]sulfamoyl]benzoate CAS Name: 3-[[(1R)-1-phenylethyl]sulfamoyl]benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-[[(1R)-1-phenylethyl]sulfamoyl]benzoate Traditional Name: 3-[[(1R)-1-phenylethyl]sulfamoyl]benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C20H21N3O5S/c1-15(16-7-3-2-4-8-16)23-29(26,27)18-10-5-9-17(13-18)20(25)28-14-19(24)22-12-6-11-21/h2-5,7-10,13,15,23H,6,12,14H2,1H3,(H,22,24)/t15-/m1/s1