methyl (2R)-2-[(4-acetamido-3-chloranyl-phenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl (2R)-2-[(4-acetamido-3-chloranyl-phenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl (2R)-2-[(4-acetamido-3-chloro-phenyl)sulfonylamino]-3-benzylsulfanyl-propanoate CAS Name: (2R)-2-[(4-acetamido-3-chlorophenyl)sulfonylamino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[(4-acetamido-3-chlorophenyl)sulfonylamino]-3-benzylsulfanylpropanoate Traditional Name: (2R)-2-[(4-acetamido-3-chloro-phenyl)sulfonylamino]-3-(benzylthio)propionic acid methyl ester Formula: C19H21ClN2O5S2 MolecularWeight: 456.96344

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)OC)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N[C@@H](CSCC2=CC=CC=C2)C(=O)OC)Cl

InChI

InChI=1S/C19H21ClN2O5S2/c1-13(23)21-17-9-8-15(10-16(17)20)29(25,26)22-18(19(24)27-2)12-28-11-14-6-4-3-5-7-14/h3-10,18,22H,11-12H2,1-2H3,(H,21,23)/t18-/m0/s1