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

Systemtic Name: methyl (2S)-3-methyl-2-[[4-(4-nitrophenyl)phenyl]sulfonylamino]butanoate Openeye Name: methyl (2S)-3-methyl-2-[[4-(4-nitrophenyl)phenyl]sulfonylamino]butanoate CAS Name: (2S)-3-methyl-2-[[4-(4-nitrophenyl)phenyl]sulfonylamino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[[4-(4-nitrophenyl)phenyl]sulfonylamino]butanoate Traditional Name: (2S)-3-methyl-2-[[4-(4-nitrophenyl)phenyl]sulfonylamino]butyric acid methyl ester Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C18H20N2O6S/c1-12(2)17(18(21)26-3)19-27(24,25)16-10-6-14(7-11-16)13-4-8-15(9-5-13)20(22)23/h4-12,17,19H,1-3H3/t17-/m0/s1