2,2-dimethyl-4-(4-prop-2-ynoxyphenyl)sulfonyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 2,2-dimethyl-4-(4-prop-2-ynoxyphenyl)sulfonyl-thiomorpholine-3-carboxylic acid Openeye Name: 2,2-dimethyl-4-(4-prop-2-ynoxyphenyl)sulfonyl-thiomorpholine-3-carboxylic acid CAS Name: 2,2-dimethyl-4-(4-prop-2-ynoxyphenyl)sulfonyl-3-thiomorpholinecarboxylic acid IUPAC Name: 2,2-dimethyl-4-(4-prop-2-ynoxyphenyl)sulfonylthiomorpholine-3-carboxylic acid Traditional Name: 2,2-dimethyl-4-(4-propargyloxyphenyl)sulfonyl-thiomorpholine-3-carboxylic acid Formula: C16H19NO5S2 MolecularWeight: 369.45576

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#C)C(=O)O)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC#C)C(=O)O)C

InChI

InChI=1S/C16H19NO5S2/c1-4-10-22-12-5-7-13(8-6-12)24(20,21)17-9-11-23-16(2,3)14(17)15(18)19/h1,5-8,14H,9-11H2,2-3H3,(H,18,19)