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

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylate Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylate CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylate IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethylthiomorpholine-3-carboxylate Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylate Formula: C17H20NO5S2- MolecularWeight: 382.4744

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCSC(C2C(=O)[O-])(C)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCSC(C2C(=O)[O-])(C)C

InChI

InChI=1S/C17H21NO5S2/c1-4-5-11-23-13-6-8-14(9-7-13)25(21,22)18-10-12-24-17(2,3)15(18)16(19)20/h6-9,15H,10-12H2,1-3H3,(H,19,20)/p-1