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

Systemtic Name: methyl (3S)-4-[4-(4-hydroxyphenyl)sulfonyloxyphenyl]sulfonyl-1,4-thiazepane-3-carboxylate Openeye Name: methyl (3S)-4-[4-(4-hydroxyphenyl)sulfonyloxyphenyl]sulfonyl-1,4-thiazepane-3-carboxylate CAS Name: (3S)-4-[4-(4-hydroxyphenyl)sulfonyloxyphenyl]sulfonyl-1,4-thiazepane-3-carboxylic acid methyl ester IUPAC Name: methyl (3S)-4-[4-(4-hydroxyphenyl)sulfonyloxyphenyl]sulfonyl-1,4-thiazepane-3-carboxylate Traditional Name: (3S)-4-[4-(4-hydroxyphenyl)sulfonyloxyphenyl]sulfonyl-1,4-thiazepane-3-carboxylic acid methyl ester Formula: C19H21NO8S3 MolecularWeight: 487.56694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CSCCCN1S(=O)(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)O

Isomeric SMILES

COC(=O)[C@H]1CSCCCN1S(=O)(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)O

InChI

InChI=1S/C19H21NO8S3/c1-27-19(22)18-13-29-12-2-11-20(18)30(23,24)16-9-5-15(6-10-16)28-31(25,26)17-7-3-14(21)4-8-17/h3-10,18,21H,2,11-13H2,1H3/t18-/m1/s1