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

Systemtic Name: tert-butyl (2S)-3-methyl-2-[(2-nitrophenyl)sulfonyl-(phenylmethyl)amino]butanoate Openeye Name: tert-butyl (2S)-2-[benzyl-(2-nitrophenyl)sulfonyl-amino]-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[(2-nitrophenyl)sulfonyl-(phenylmethyl)amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[benzyl-(2-nitrophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-[benzyl-(2-nitrophenyl)sulfonyl-amino]-3-methyl-butyric acid tert-butyl ester Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O6S/c1-16(2)20(21(25)30-22(3,4)5)23(15-17-11-7-6-8-12-17)31(28,29)19-14-10-9-13-18(19)24(26)27/h6-14,16,20H,15H2,1-5H3/t20-/m0/s1