methyl 3-[2-[(4-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-[(4-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-(4-morpholinosulfonylanilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-[4-(4-morpholinylsulfonyl)anilino]-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-keto-2-(4-morpholinosulfonylanilino)ethyl]thio]propionic acid methyl ester Formula: C16H22N2O6S2 MolecularWeight: 402.48568

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

Isomeric SMILES

COC(=O)CCSCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C16H22N2O6S2/c1-23-16(20)6-11-25-12-15(19)17-13-2-4-14(5-3-13)26(21,22)18-7-9-24-10-8-18/h2-5H,6-12H2,1H3,(H,17,19)