tert-butyl (2S)-2-[2-cyclohexylethyl-(4-nitrophenyl)sulfonyl-amino]-3-methyl-butanoate

Systemtic Name: tert-butyl (2S)-2-[2-cyclohexylethyl-(4-nitrophenyl)sulfonyl-amino]-3-methyl-butanoate Openeye Name: tert-butyl (2S)-2-[2-cyclohexylethyl-(4-nitrophenyl)sulfonyl-amino]-3-methyl-butanoate CAS Name: (2S)-2-[2-cyclohexylethyl-(4-nitrophenyl)sulfonylamino]-3-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[2-cyclohexylethyl-(4-nitrophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-[2-cyclohexylethyl(nosyl)amino]-3-methyl-butyric acid tert-butyl ester Formula: C23H36N2O6S MolecularWeight: 468.60674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)(C)C)N(CCC1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@@H](C(=O)OC(C)(C)C)N(CCC1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C23H36N2O6S/c1-17(2)21(22(26)31-23(3,4)5)24(16-15-18-9-7-6-8-10-18)32(29,30)20-13-11-19(12-14-20)25(27)28/h11-14,17-18,21H,6-10,15-16H2,1-5H3/t21-/m0/s1