methyl 2-[(4-chloranyl-2,5-dimethyl-phenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl 2-[(4-chloranyl-2,5-dimethyl-phenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 3-benzylsulfanyl-2-[(4-chloro-2,5-dimethyl-phenyl)sulfonylamino]propanoate CAS Name: 2-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 3-benzylsulfanyl-2-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-(benzylthio)-2-[(4-chloro-2,5-dimethyl-phenyl)sulfonylamino]propionic acid methyl ester Formula: C19H22ClNO4S2 MolecularWeight: 427.96528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C19H22ClNO4S2/c1-13-10-18(14(2)9-16(13)20)27(23,24)21-17(19(22)25-3)12-26-11-15-7-5-4-6-8-15/h4-10,17,21H,11-12H2,1-3H3