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

Systemtic Name: methyl (3S)-4-[4-[4-(4-hydroxyphenyl)sulfonyloxyphenyl]sulfonyloxyphenyl]sulfonyl-1,4-thiazepane-3-carboxylate Openeye Name: methyl (3S)-4-[4-[4-(4-hydroxyphenyl)sulfonyloxyphenyl]sulfonyloxyphenyl]sulfonyl-1,4-thiazepane-3-carboxylate CAS Name: (3S)-4-[4-[4-(4-hydroxyphenyl)sulfonyloxyphenyl]sulfonyloxyphenyl]sulfonyl-1,4-thiazepane-3-carboxylic acid methyl ester IUPAC Name: methyl (3S)-4-[4-[4-(4-hydroxyphenyl)sulfonyloxyphenyl]sulfonyloxyphenyl]sulfonyl-1,4-thiazepane-3-carboxylate Traditional Name: (3S)-4-[4-[4-(4-hydroxyphenyl)sulfonyloxyphenyl]sulfonyloxyphenyl]sulfonyl-1,4-thiazepane-3-carboxylic acid methyl ester Formula: C25H25NO11S4 MolecularWeight: 643.7261

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CSCCCN1S(=O)(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)O

Isomeric SMILES

COC(=O)[C@H]1CSCCCN1S(=O)(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)O

InChI

InChI=1S/C25H25NO11S4/c1-35-25(28)24-17-38-16-2-15-26(24)39(29,30)21-11-5-19(6-12-21)36-41(33,34)23-13-7-20(8-14-23)37-40(31,32)22-9-3-18(27)4-10-22/h3-14,24,27H,2,15-17H2,1H3/t24-/m1/s1