methyl 7-methoxy-5-(4-methylphenyl)sulfonyl-3-oxidanyl-1,2,5-dioxazepane-4-carboxylate

Systemtic Name: methyl 7-methoxy-5-(4-methylphenyl)sulfonyl-3-oxidanyl-1,2,5-dioxazepane-4-carboxylate Openeye Name: methyl 3-hydroxy-7-methoxy-5-(p-tolylsulfonyl)-1,2,5-dioxazepane-4-carboxylate CAS Name: 3-hydroxy-7-methoxy-5-(4-methylphenyl)sulfonyl-1,2,5-dioxazepane-4-carboxylic acid methyl ester IUPAC Name: methyl 3-hydroxy-7-methoxy-5-(4-methylphenyl)sulfonyl-1,2,5-dioxazepane-4-carboxylate Traditional Name: 3-hydroxy-7-methoxy-5-tosyl-1,2,5-dioxazepane-4-carboxylic acid methyl ester Formula: C14H19NO8S MolecularWeight: 361.36756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(OOC(C2C(=O)OC)O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(OOC(C2C(=O)OC)O)OC

InChI

InChI=1S/C14H19NO8S/c1-9-4-6-10(7-5-9)24(18,19)15-8-11(20-2)22-23-14(17)12(15)13(16)21-3/h4-7,11-12,14,17H,8H2,1-3H3