phenacyl (2S)-2-[(4-nitrophenyl)sulfonylamino]-4-oxidanylidene-4-[(triphenylmethyl)amino]butanoate

Systemtic Name: phenacyl (2S)-2-[(4-nitrophenyl)sulfonylamino]-4-oxidanylidene-4-[(triphenylmethyl)amino]butanoate Openeye Name: phenacyl (2S)-2-[(4-nitrophenyl)sulfonylamino]-4-oxo-4-(tritylamino)butanoate CAS Name: (2S)-2-[(4-nitrophenyl)sulfonylamino]-4-oxo-4-[(triphenylmethyl)amino]butanoic acid phenacyl ester IUPAC Name: phenacyl (2S)-2-[(4-nitrophenyl)sulfonylamino]-4-oxo-4-(tritylamino)butanoate Traditional Name: (2S)-4-keto-2-(nosylamino)-4-(tritylamino)butyric acid phenacyl ester Formula: C37H31N3O8S MolecularWeight: 677.72234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)C(CC(=O)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)[C@H](CC(=O)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C37H31N3O8S/c41-34(27-13-5-1-6-14-27)26-48-36(43)33(39-49(46,47)32-23-21-31(22-24-32)40(44)45)25-35(42)38-37(28-15-7-2-8-16-28,29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-24,33,39H,25-26H2,(H,38,42)/t33-/m0/s1