methyl 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-4-(2-hydroxyethylsulfanyl)butanoate

Systemtic Name: methyl 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-4-(2-hydroxyethylsulfanyl)butanoate Openeye Name: methyl 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-4-(2-hydroxyethylsulfanyl)butanoate CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-4-(2-hydroxyethylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-4-(2-hydroxyethylsulfanyl)butanoate Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-4-(2-hydroxyethylthio)butyric acid methyl ester Formula: C17H23NO6S2 MolecularWeight: 401.49762

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CCSCCO)C(=O)OC

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CCSCCO)C(=O)OC

InChI

InChI=1S/C17H23NO6S2/c1-3-4-11-24-14-5-7-15(8-6-14)26(21,22)18-16(17(20)23-2)9-12-25-13-10-19/h5-8,16,18-19H,9-13H2,1-2H3