4-(4-methoxyphenyl)sulfonyl-1,4-thiazepane-3-carboxylic acid

Systemtic Name: 4-(4-methoxyphenyl)sulfonyl-1,4-thiazepane-3-carboxylic acid Openeye Name: 4-(4-methoxyphenyl)sulfonyl-1,4-thiazepane-3-carboxylic acid CAS Name: 4-(4-methoxyphenyl)sulfonyl-1,4-thiazepane-3-carboxylic acid IUPAC Name: 4-(4-methoxyphenyl)sulfonyl-1,4-thiazepane-3-carboxylic acid Traditional Name: 4-(4-methoxyphenyl)sulfonyl-1,4-thiazepane-3-carboxylic acid Formula: C13H17NO5S2 MolecularWeight: 331.40778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCSCC2C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCSCC2C(=O)O

InChI

InChI=1S/C13H17NO5S2/c1-19-10-3-5-11(6-4-10)21(17,18)14-7-2-8-20-9-12(14)13(15)16/h3-6,12H,2,7-9H2,1H3,(H,15,16)