2,2-dimethyl-4-(4-oxidanylbut-2-ynoxy)-3-(phenylsulfonyl)thiomorpholine-3-carboxylic acid

Systemtic Name: 2,2-dimethyl-4-(4-oxidanylbut-2-ynoxy)-3-(phenylsulfonyl)thiomorpholine-3-carboxylic acid Openeye Name: 3-(benzenesulfonyl)-4-(4-hydroxybut-2-ynoxy)-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 3-(benzenesulfonyl)-4-(4-hydroxybut-2-ynoxy)-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 3-(benzenesulfonyl)-4-(4-hydroxybut-2-ynoxy)-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 3-besyl-4-(4-hydroxybut-2-ynoxy)-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C17H21NO6S2 MolecularWeight: 399.48174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)OCC#CCO)(C(=O)O)S(=O)(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1(C(N(CCS1)OCC#CCO)(C(=O)O)S(=O)(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C17H21NO6S2/c1-16(2)17(15(20)21,26(22,23)14-8-4-3-5-9-14)18(10-13-25-16)24-12-7-6-11-19/h3-5,8-9,19H,10-13H2,1-2H3,(H,20,21)