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

Systemtic Name: tert-butyl 5-(2-methoxy-2-oxidanylidene-ethyl)-8-(phenylsulfonylamino)-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate Openeye Name: tert-butyl 8-(benzenesulfonamido)-5-(2-methoxy-2-oxo-ethyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate CAS Name: 8-(benzenesulfonamido)-5-(2-methoxy-2-oxoethyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 8-(benzenesulfonamido)-5-(2-methoxy-2-oxoethyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate Traditional Name: 8-(benzenesulfonamido)-5-(2-keto-2-methoxy-ethyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylic acid tert-butyl ester Formula: C24H30N2O6S MolecularWeight: 474.5698

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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)C3=CC=CC=C3)CC(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C2=C(C1)C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)CC(=O)OC

InChI

InChI=1S/C24H30N2O6S/c1-24(2,3)32-23(28)26-13-12-17(15-22(27)31-4)21-11-10-19(14-18(21)16-26)25-33(29,30)20-8-6-5-7-9-20/h5-11,14,17,25H,12-13,15-16H2,1-4H3