tert-butyl 5-(2-methoxy-2-oxidanylidene-ethyl)-8-(methylsulfonylamino)-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate

Systemtic Name: tert-butyl 5-(2-methoxy-2-oxidanylidene-ethyl)-8-(methylsulfonylamino)-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate Openeye Name: tert-butyl 8-(methanesulfonamido)-5-(2-methoxy-2-oxo-ethyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate CAS Name: 8-(methanesulfonamido)-5-(2-methoxy-2-oxoethyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 8-(methanesulfonamido)-5-(2-methoxy-2-oxoethyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate Traditional Name: 5-(2-keto-2-methoxy-ethyl)-8-(methanesulfonamido)-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylic acid tert-butyl ester Formula: C19H28N2O6S MolecularWeight: 412.50042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C2=C(C1)C=C(C=C2)NS(=O)(=O)C)CC(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C2=C(C1)C=C(C=C2)NS(=O)(=O)C)CC(=O)OC

InChI

InChI=1S/C19H28N2O6S/c1-19(2,3)27-18(23)21-9-8-13(11-17(22)26-4)16-7-6-15(10-14(16)12-21)20-28(5,24)25/h6-7,10,13,20H,8-9,11-12H2,1-5H3