2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-methyl-3-(3-oxidanylpropylsulfanyl)butanoic acid

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-methyl-3-(3-oxidanylpropylsulfanyl)butanoic acid Openeye Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(3-hydroxypropylsulfanyl)-3-methyl-butanoic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(3-hydroxypropylthio)-3-methylbutanoic acid IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(3-hydroxypropylsulfanyl)-3-methylbutanoic acid Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(3-hydroxypropylthio)-3-methyl-butyric acid Formula: C18H25NO6S2 MolecularWeight: 415.5242

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(C(=O)O)C(C)(C)SCCCO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(C(=O)O)C(C)(C)SCCCO

InChI

InChI=1S/C18H25NO6S2/c1-4-5-12-25-14-7-9-15(10-8-14)27(23,24)19-16(17(21)22)18(2,3)26-13-6-11-20/h7-10,16,19-20H,6,11-13H2,1-3H3,(H,21,22)