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

Systemtic Name: 4-(4-hept-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-(4-hept-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 4-(4-hept-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 4-(4-hept-2-ynoxyphenyl)sulfonyl-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 4-(4-hept-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C20H27NO5S2 MolecularWeight: 425.56208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCSC(C2C(=O)O)(C)C

Isomeric SMILES

CCCCC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCSC(C2C(=O)O)(C)C

InChI

InChI=1S/C20H27NO5S2/c1-4-5-6-7-8-14-26-16-9-11-17(12-10-16)28(24,25)21-13-15-27-20(2,3)18(21)19(22)23/h9-12,18H,4-6,13-15H2,1-3H3,(H,22,23)