methyl (3S)-4-(4-hydroxyphenyl)sulfonyl-1,4-thiazepane-3-carboxylate

Systemtic Name: methyl (3S)-4-(4-hydroxyphenyl)sulfonyl-1,4-thiazepane-3-carboxylate Openeye Name: methyl (3S)-4-(4-hydroxyphenyl)sulfonyl-1,4-thiazepane-3-carboxylate CAS Name: (3S)-4-(4-hydroxyphenyl)sulfonyl-1,4-thiazepane-3-carboxylic acid methyl ester IUPAC Name: methyl (3S)-4-(4-hydroxyphenyl)sulfonyl-1,4-thiazepane-3-carboxylate Traditional Name: (3S)-4-(4-hydroxyphenyl)sulfonyl-1,4-thiazepane-3-carboxylic acid methyl ester Formula: C13H17NO5S2 MolecularWeight: 331.40778

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CSCCCN1S(=O)(=O)C2=CC=C(C=C2)O

Isomeric SMILES

COC(=O)[C@H]1CSCCCN1S(=O)(=O)C2=CC=C(C=C2)O

InChI

InChI=1S/C13H17NO5S2/c1-19-13(16)12-9-20-8-2-7-14(12)21(17,18)11-5-3-10(15)4-6-11/h3-6,12,15H,2,7-9H2,1H3/t12-/m1/s1