[(2S)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] 4-(3-nitrophenyl)sulfonyloxybenzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] 4-(3-nitrophenyl)sulfonyloxybenzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(phenethylamino)ethyl] 4-(3-nitrophenyl)sulfonyloxybenzoate CAS Name: 4-(3-nitrophenyl)sulfonyloxybenzoic acid [(2S)-1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(phenethylamino)propan-2-yl] 4-(3-nitrophenyl)sulfonyloxybenzoate Traditional Name: 4-(3-nitrophenyl)sulfonyloxybenzoic acid [(1S)-2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C24H22N2O8S MolecularWeight: 498.50508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H22N2O8S/c1-17(23(27)25-15-14-18-6-3-2-4-7-18)33-24(28)19-10-12-21(13-11-19)34-35(31,32)22-9-5-8-20(16-22)26(29)30/h2-13,16-17H,14-15H2,1H3,(H,25,27)/t17-/m0/s1