2,6-dimethyl-4-(4-pent-3-yn-2-yloxyphenyl)sulfonyl-morpholine-3-carboxylic acid

Systemtic Name: 2,6-dimethyl-4-(4-pent-3-yn-2-yloxyphenyl)sulfonyl-morpholine-3-carboxylic acid Openeye Name: 2,6-dimethyl-4-[4-(1-methylbut-2-ynoxy)phenyl]sulfonyl-morpholine-3-carboxylic acid CAS Name: 2,6-dimethyl-4-(4-pent-3-yn-2-yloxyphenyl)sulfonyl-3-morpholinecarboxylic acid IUPAC Name: 2,6-dimethyl-4-(4-pent-3-yn-2-yloxyphenyl)sulfonylmorpholine-3-carboxylic acid Traditional Name: 2,6-dimethyl-4-[4-(1-methylbut-2-ynoxy)phenyl]sulfonyl-morpholine-3-carboxylic acid Formula: C18H23NO6S MolecularWeight: 381.44332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CC(C)OC1=CC=C(C=C1)S(=O)(=O)N2CC(OC(C2C(=O)O)C)C

Isomeric SMILES

CC#CC(C)OC1=CC=C(C=C1)S(=O)(=O)N2CC(OC(C2C(=O)O)C)C

InChI

InChI=1S/C18H23NO6S/c1-5-6-12(2)25-15-7-9-16(10-8-15)26(22,23)19-11-13(3)24-14(4)17(19)18(20)21/h7-10,12-14,17H,11H2,1-4H3,(H,20,21)