methyl 7-methylsulfonyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-9-carboxylate

Systemtic Name: methyl 7-methylsulfonyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-9-carboxylate Openeye Name: methyl 7-methylsulfonyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-9-carboxylate CAS Name: 7-methylsulfonyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-9-carboxylic acid methyl ester IUPAC Name: methyl 7-methylsulfonyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-9-carboxylate Traditional Name: 7-mesyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-9-carboxylic acid methyl ester Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC2=C1OCCCN2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=CC2=C1OCCCN2)S(=O)(=O)C

InChI

InChI=1S/C12H15NO5S/c1-17-12(14)9-6-8(19(2,15)16)7-10-11(9)18-5-3-4-13-10/h6-7,13H,3-5H2,1-2H3