[1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 2-[(4-bromophenyl)sulfonylamino]-3-oxidanyl-propanoate

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 2-[(4-bromophenyl)sulfonylamino]-3-oxidanyl-propanoate Openeye Name: [2-(benzylamino)-1-methyl-2-oxo-ethyl] 2-[(4-bromophenyl)sulfonylamino]-3-hydroxy-propanoate CAS Name: 2-[(4-bromophenyl)sulfonylamino]-3-hydroxypropanoic acid [1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [1-(benzylamino)-1-oxopropan-2-yl] 2-[(4-bromophenyl)sulfonylamino]-3-hydroxypropanoate Traditional Name: 2-(brosylamino)-3-hydroxy-propionic acid [2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H21BrN2O6S MolecularWeight: 485.34884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C(CO)NS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C(CO)NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C19H21BrN2O6S/c1-13(18(24)21-11-14-5-3-2-4-6-14)28-19(25)17(12-23)22-29(26,27)16-9-7-15(20)8-10-16/h2-10,13,17,22-23H,11-12H2,1H3,(H,21,24)