tert-butyl (2S)-3-methyl-2-[[4-(4-nitrophenyl)phenyl]sulfonylamino]butanoate

Systemtic Name: tert-butyl (2S)-3-methyl-2-[[4-(4-nitrophenyl)phenyl]sulfonylamino]butanoate Openeye Name: tert-butyl (2S)-3-methyl-2-[[4-(4-nitrophenyl)phenyl]sulfonylamino]butanoate CAS Name: (2S)-3-methyl-2-[[4-(4-nitrophenyl)phenyl]sulfonylamino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-3-methyl-2-[[4-(4-nitrophenyl)phenyl]sulfonylamino]butanoate Traditional Name: (2S)-3-methyl-2-[[4-(4-nitrophenyl)phenyl]sulfonylamino]butyric acid tert-butyl ester Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O6S/c1-14(2)19(20(24)29-21(3,4)5)22-30(27,28)18-12-8-16(9-13-18)15-6-10-17(11-7-15)23(25)26/h6-14,19,22H,1-5H3/t19-/m0/s1