methyl (2S,3R)-3-chloranyl-3-(3-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: methyl (2S,3R)-3-chloranyl-3-(3-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: methyl (2S,3R)-3-chloro-3-(3-methoxyphenyl)-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S,3R)-3-chloro-3-(3-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid methyl ester IUPAC Name: methyl (2S,3R)-3-chloro-3-(3-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: (2S,3R)-3-chloro-3-(3-methoxyphenyl)-2-(tosylamino)propionic acid methyl ester Formula: C18H20ClNO5S MolecularWeight: 397.8731

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C2=CC(=CC=C2)OC)Cl)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H]([C@@H](C2=CC(=CC=C2)OC)Cl)C(=O)OC

InChI

InChI=1S/C18H20ClNO5S/c1-12-7-9-15(10-8-12)26(22,23)20-17(18(21)25-3)16(19)13-5-4-6-14(11-13)24-2/h4-11,16-17,20H,1-3H3/t16-,17-/m1/s1