methyl 2-[(4-methoxyphenyl)sulfonyl-(2-morpholin-4-yl-2-oxidanylidene-ethyl)amino]-4-(phenylmethylsulfanyl)butanoate

Systemtic Name: methyl 2-[(4-methoxyphenyl)sulfonyl-(2-morpholin-4-yl-2-oxidanylidene-ethyl)amino]-4-(phenylmethylsulfanyl)butanoate Openeye Name: methyl 4-benzylsulfanyl-2-[(4-methoxyphenyl)sulfonyl-(2-morpholino-2-oxo-ethyl)amino]butanoate CAS Name: 2-[(4-methoxyphenyl)sulfonyl-[2-(4-morpholinyl)-2-oxoethyl]amino]-4-(phenylmethylthio)butanoic acid methyl ester IUPAC Name: methyl 4-benzylsulfanyl-2-[(4-methoxyphenyl)sulfonyl-(2-morpholin-4-yl-2-oxoethyl)amino]butanoate Traditional Name: 4-(benzylthio)-2-[(2-keto-2-morpholino-ethyl)-(4-methoxyphenyl)sulfonyl-amino]butyric acid methyl ester Formula: C25H32N2O7S2 MolecularWeight: 536.66078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCOCC2)C(CCSCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCOCC2)C(CCSCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C25H32N2O7S2/c1-32-21-8-10-22(11-9-21)36(30,31)27(18-24(28)26-13-15-34-16-14-26)23(25(29)33-2)12-17-35-19-20-6-4-3-5-7-20/h3-11,23H,12-19H2,1-2H3