2-methyl-4-[4-(4-oxidanylhex-2-ynoxy)phenyl]sulfonyl-morpholine-3-carboxylic acid

Systemtic Name: 2-methyl-4-[4-(4-oxidanylhex-2-ynoxy)phenyl]sulfonyl-morpholine-3-carboxylic acid Openeye Name: 4-[4-(4-hydroxyhex-2-ynoxy)phenyl]sulfonyl-2-methyl-morpholine-3-carboxylic acid CAS Name: 4-[4-(4-hydroxyhex-2-ynoxy)phenyl]sulfonyl-2-methyl-3-morpholinecarboxylic acid IUPAC Name: 4-[4-(4-hydroxyhex-2-ynoxy)phenyl]sulfonyl-2-methylmorpholine-3-carboxylic acid Traditional Name: 4-[4-(4-hydroxyhex-2-ynoxy)phenyl]sulfonyl-2-methyl-morpholine-3-carboxylic acid Formula: C18H23NO7S MolecularWeight: 397.44272

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCOC(C2C(=O)O)C)O

Isomeric SMILES

CCC(C#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCOC(C2C(=O)O)C)O

InChI

InChI=1S/C18H23NO7S/c1-3-14(20)5-4-11-26-15-6-8-16(9-7-15)27(23,24)19-10-12-25-13(2)17(19)18(21)22/h6-9,13-14,17,20H,3,10-12H2,1-2H3,(H,21,22)