2,2,6-trimethyl-4-(4-pent-2-ynoxyphenyl)sulfonyl-morpholine-3-carboxylic acid

Systemtic Name: 2,2,6-trimethyl-4-(4-pent-2-ynoxyphenyl)sulfonyl-morpholine-3-carboxylic acid Openeye Name: 2,2,6-trimethyl-4-(4-pent-2-ynoxyphenyl)sulfonyl-morpholine-3-carboxylic acid CAS Name: 2,2,6-trimethyl-4-(4-pent-2-ynoxyphenyl)sulfonyl-3-morpholinecarboxylic acid IUPAC Name: 2,2,6-trimethyl-4-(4-pent-2-ynoxyphenyl)sulfonylmorpholine-3-carboxylic acid Traditional Name: 2,2,6-trimethyl-4-(4-pent-2-ynoxyphenyl)sulfonyl-morpholine-3-carboxylic acid Formula: C19H25NO6S MolecularWeight: 395.4699

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC(OC(C2C(=O)O)(C)C)C

Isomeric SMILES

CCC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC(OC(C2C(=O)O)(C)C)C

InChI

InChI=1S/C19H25NO6S/c1-5-6-7-12-25-15-8-10-16(11-9-15)27(23,24)20-13-14(2)26-19(3,4)17(20)18(21)22/h8-11,14,17H,5,12-13H2,1-4H3,(H,21,22)