propan-2-yl (2S,3R)-3-chloranyl-2-[(2-nitrophenyl)sulfonylamino]-3-phenyl-propanoate

Systemtic Name: propan-2-yl (2S,3R)-3-chloranyl-2-[(2-nitrophenyl)sulfonylamino]-3-phenyl-propanoate Openeye Name: isopropyl (2S,3R)-3-chloro-2-[(2-nitrophenyl)sulfonylamino]-3-phenyl-propanoate CAS Name: (2S,3R)-3-chloro-2-[(2-nitrophenyl)sulfonylamino]-3-phenylpropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (2S,3R)-3-chloro-2-[(2-nitrophenyl)sulfonylamino]-3-phenylpropanoate Traditional Name: (2S,3R)-3-chloro-2-[(2-nitrophenyl)sulfonylamino]-3-phenyl-propionic acid isopropyl ester Formula: C18H19ClN2O6S MolecularWeight: 426.87126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O6S/c1-12(2)27-18(22)17(16(19)13-8-4-3-5-9-13)20-28(25,26)15-11-7-6-10-14(15)21(23)24/h3-12,16-17,20H,1-2H3/t16-,17-/m1/s1