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

Systemtic Name: 2,6-dimethyl-4-(4-pent-2-ynoxyphenyl)sulfonyl-morpholine-3-carboxylic acid Openeye Name: 2,6-dimethyl-4-(4-pent-2-ynoxyphenyl)sulfonyl-morpholine-3-carboxylic acid CAS Name: 2,6-dimethyl-4-(4-pent-2-ynoxyphenyl)sulfonyl-3-morpholinecarboxylic acid IUPAC Name: 2,6-dimethyl-4-(4-pent-2-ynoxyphenyl)sulfonylmorpholine-3-carboxylic acid Traditional Name: 2,6-dimethyl-4-(4-pent-2-ynoxyphenyl)sulfonyl-morpholine-3-carboxylic acid Formula: C18H23NO6S MolecularWeight: 381.44332

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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

Isomeric SMILES

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

InChI

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