methyl (2R,3R)-3-acetamido-3-(4-chlorophenyl)-2-[(2-nitrophenyl)sulfonylamino]propanoate

Systemtic Name: methyl (2R,3R)-3-acetamido-3-(4-chlorophenyl)-2-[(2-nitrophenyl)sulfonylamino]propanoate Openeye Name: methyl (2R,3R)-3-acetamido-3-(4-chlorophenyl)-2-[(2-nitrophenyl)sulfonylamino]propanoate CAS Name: (2R,3R)-3-acetamido-3-(4-chlorophenyl)-2-[(2-nitrophenyl)sulfonylamino]propanoic acid methyl ester IUPAC Name: methyl (2R,3R)-3-acetamido-3-(4-chlorophenyl)-2-[(2-nitrophenyl)sulfonylamino]propanoate Traditional Name: (2R,3R)-3-acetamido-3-(4-chlorophenyl)-2-[(2-nitrophenyl)sulfonylamino]propionic acid methyl ester Formula: C18H18ClN3O7S MolecularWeight: 455.86942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O7S/c1-11(23)20-16(12-7-9-13(19)10-8-12)17(18(24)29-2)21-30(27,28)15-6-4-3-5-14(15)22(25)26/h3-10,16-17,21H,1-2H3,(H,20,23)/t16-,17-/m1/s1