tert-butyl (2S)-2-[(2-naphthalen-2-yl-2-oxidanylidene-ethyl)-(4-nitrophenyl)sulfonyl-amino]-3-phenyl-propanoate

Systemtic Name: tert-butyl (2S)-2-[(2-naphthalen-2-yl-2-oxidanylidene-ethyl)-(4-nitrophenyl)sulfonyl-amino]-3-phenyl-propanoate Openeye Name: tert-butyl (2S)-2-[[2-(2-naphthyl)-2-oxo-ethyl]-(4-nitrophenyl)sulfonyl-amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-(2-naphthalenyl)-2-oxoethyl]-(4-nitrophenyl)sulfonylamino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(2-naphthalen-2-yl-2-oxoethyl)-(4-nitrophenyl)sulfonylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-keto-2-(2-naphthyl)ethyl]-nosyl-amino]-3-phenyl-propionic acid tert-butyl ester Formula: C31H30N2O7S MolecularWeight: 574.6441

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)N(CC(=O)C2=CC3=CC=CC=C3C=C2)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)N(CC(=O)C2=CC3=CC=CC=C3C=C2)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C31H30N2O7S/c1-31(2,3)40-30(35)28(19-22-9-5-4-6-10-22)32(41(38,39)27-17-15-26(16-18-27)33(36)37)21-29(34)25-14-13-23-11-7-8-12-24(23)20-25/h4-18,20,28H,19,21H2,1-3H3/t28-/m0/s1