4-[4-(7-acetyloxyhept-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 4-[4-(7-acetyloxyhept-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-[4-(7-acetoxyhept-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 4-[4-(7-acetyloxyhept-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 4-[4-(7-acetyloxyhept-2-ynoxy)phenyl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 4-[4-(7-acetoxyhept-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C22H29NO7S2 MolecularWeight: 483.59816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO7S2/c1-17(24)29-14-7-5-4-6-8-15-30-18-9-11-19(12-10-18)32(27,28)23-13-16-31-22(2,3)20(23)21(25)26/h9-12,20H,4-5,7,13-16H2,1-3H3,(H,25,26)