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

Systemtic Name: phenacyl (2S)-2-[methyl-(4-nitrophenyl)sulfonyl-amino]-4-oxidanylidene-4-[(triphenylmethyl)amino]butanoate Openeye Name: phenacyl (2S)-2-[methyl-(4-nitrophenyl)sulfonyl-amino]-4-oxo-4-(tritylamino)butanoate CAS Name: (2S)-2-[methyl-(4-nitrophenyl)sulfonylamino]-4-oxo-4-[(triphenylmethyl)amino]butanoic acid phenacyl ester IUPAC Name: phenacyl (2S)-2-[methyl-(4-nitrophenyl)sulfonylamino]-4-oxo-4-(tritylamino)butanoate Traditional Name: (2S)-4-keto-2-[methyl(nosyl)amino]-4-(tritylamino)butyric acid phenacyl ester Formula: C38H33N3O8S MolecularWeight: 691.74892

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CN([C@@H](CC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C38H33N3O8S/c1-40(50(47,48)33-24-22-32(23-25-33)41(45)46)34(37(44)49-27-35(42)28-14-6-2-7-15-28)26-36(43)39-38(29-16-8-3-9-17-29,30-18-10-4-11-19-30)31-20-12-5-13-21-31/h2-25,34H,26-27H2,1H3,(H,39,43)/t34-/m0/s1