(4-aminocarbonyl-2-nitro-phenyl)methyl (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-butyric acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C19H20ClN3O7S MolecularWeight: 469.896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-])NS(=O)(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-])NS(=O)(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C19H20ClN3O7S/c1-11(2)17(22-31(28,29)15-5-3-4-14(20)9-15)19(25)30-10-13-7-6-12(18(21)24)8-16(13)23(26)27/h3-9,11,17,22H,10H2,1-2H3,(H2,21,24)/t17-/m0/s1