methyl 4-(4-methoxyphenyl)sulfonyl-1,4-thiazepane-5-carboxylate

Systemtic Name: methyl 4-(4-methoxyphenyl)sulfonyl-1,4-thiazepane-5-carboxylate Openeye Name: methyl 4-(4-methoxyphenyl)sulfonyl-1,4-thiazepane-5-carboxylate CAS Name: 4-(4-methoxyphenyl)sulfonyl-1,4-thiazepane-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-methoxyphenyl)sulfonyl-1,4-thiazepane-5-carboxylate Traditional Name: 4-(4-methoxyphenyl)sulfonyl-1,4-thiazepane-5-carboxylic acid methyl ester Formula: C14H19NO5S2 MolecularWeight: 345.43436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCSCCC2C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCSCCC2C(=O)OC

InChI

InChI=1S/C14H19NO5S2/c1-19-11-3-5-12(6-4-11)22(17,18)15-8-10-21-9-7-13(15)14(16)20-2/h3-6,13H,7-10H2,1-2H3