methyl 2,6-dimethyl-4-(4-pent-2-ynoxyphenyl)sulfonyl-morpholine-3-carboxylate

Systemtic Name: methyl 2,6-dimethyl-4-(4-pent-2-ynoxyphenyl)sulfonyl-morpholine-3-carboxylate Openeye Name: methyl 2,6-dimethyl-4-(4-pent-2-ynoxyphenyl)sulfonyl-morpholine-3-carboxylate CAS Name: 2,6-dimethyl-4-(4-pent-2-ynoxyphenyl)sulfonyl-3-morpholinecarboxylic acid methyl ester IUPAC Name: methyl 2,6-dimethyl-4-(4-pent-2-ynoxyphenyl)sulfonylmorpholine-3-carboxylate Traditional Name: 2,6-dimethyl-4-(4-pent-2-ynoxyphenyl)sulfonyl-morpholine-3-carboxylic acid methyl ester 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)OC)C)C

Isomeric SMILES

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

InChI

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