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

Systemtic Name: methyl 2-[(3-chloranyl-4-methyl-phenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 3-benzylsulfanyl-2-[(3-chloro-4-methyl-phenyl)sulfonylamino]propanoate CAS Name: 2-[(3-chloro-4-methylphenyl)sulfonylamino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 3-benzylsulfanyl-2-[(3-chloro-4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(benzylthio)-2-[(3-chloro-4-methyl-phenyl)sulfonylamino]propionic acid methyl ester Formula: C18H20ClNO4S2 MolecularWeight: 413.9387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)OC)Cl

InChI

InChI=1S/C18H20ClNO4S2/c1-13-8-9-15(10-16(13)19)26(22,23)20-17(18(21)24-2)12-25-11-14-6-4-3-5-7-14/h3-10,17,20H,11-12H2,1-2H3