4-(4-but-2-ynoxyphenyl)sulfonyl-2,2,5-trimethyl-thiomorpholine-3-carboxylate

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-2,2,5-trimethyl-thiomorpholine-3-carboxylate Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-2,2,5-trimethyl-thiomorpholine-3-carboxylate CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-2,2,5-trimethyl-3-thiomorpholinecarboxylate IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-2,2,5-trimethylthiomorpholine-3-carboxylate Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-2,2,5-trimethyl-thiomorpholine-3-carboxylate Formula: C18H22NO5S2- MolecularWeight: 396.50098

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2C(CSC(C2C(=O)[O-])(C)C)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2C(CSC(C2C(=O)[O-])(C)C)C

InChI

InChI=1S/C18H23NO5S2/c1-5-6-11-24-14-7-9-15(10-8-14)26(22,23)19-13(2)12-25-18(3,4)16(19)17(20)21/h7-10,13,16H,11-12H2,1-4H3,(H,20,21)/p-1