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

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(2-hydroxyethylsulfanyl)-3-methyl-butanoic acid Openeye Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(2-hydroxyethylsulfanyl)-3-methyl-butanoic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(2-hydroxyethylthio)-3-methylbutanoic acid IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(2-hydroxyethylsulfanyl)-3-methylbutanoic acid Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(2-hydroxyethylthio)-3-methyl-butyric acid Formula: C17H23NO6S2 MolecularWeight: 401.49762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO6S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)18-15(16(20)21)17(2,3)25-12-10-19/h6-9,15,18-19H,10-12H2,1-3H3,(H,20,21)