2-[(4-methoxyphenyl)sulfonyl-(2-morpholin-4-yl-2-oxidanylidene-ethyl)amino]-4-(phenylmethylsulfanyl)butanoic acid

Systemtic Name: 2-[(4-methoxyphenyl)sulfonyl-(2-morpholin-4-yl-2-oxidanylidene-ethyl)amino]-4-(phenylmethylsulfanyl)butanoic acid Openeye Name: 4-benzylsulfanyl-2-[(4-methoxyphenyl)sulfonyl-(2-morpholino-2-oxo-ethyl)amino]butanoic acid CAS Name: 2-[(4-methoxyphenyl)sulfonyl-[2-(4-morpholinyl)-2-oxoethyl]amino]-4-(phenylmethylthio)butanoic acid IUPAC Name: 4-benzylsulfanyl-2-[(4-methoxyphenyl)sulfonyl-(2-morpholin-4-yl-2-oxoethyl)amino]butanoic acid Traditional Name: 4-(benzylthio)-2-[(2-keto-2-morpholino-ethyl)-(4-methoxyphenyl)sulfonyl-amino]butyric acid Formula: C24H30N2O7S2 MolecularWeight: 522.6342

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O7S2/c1-32-20-7-9-21(10-8-20)35(30,31)26(17-23(27)25-12-14-33-15-13-25)22(24(28)29)11-16-34-18-19-5-3-2-4-6-19/h2-10,22H,11-18H2,1H3,(H,28,29)