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

Systemtic Name: methyl 2-[(4-ethanoylphenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 2-[(4-acetylphenyl)sulfonylamino]-3-benzylsulfanyl-propanoate CAS Name: 2-[(4-acetylphenyl)sulfonylamino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 2-[(4-acetylphenyl)sulfonylamino]-3-benzylsulfanylpropanoate Traditional Name: 2-[(4-acetylphenyl)sulfonylamino]-3-(benzylthio)propionic acid methyl ester Formula: C19H21NO5S2 MolecularWeight: 407.50374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO5S2/c1-14(21)16-8-10-17(11-9-16)27(23,24)20-18(19(22)25-2)13-26-12-15-6-4-3-5-7-15/h3-11,18,20H,12-13H2,1-2H3