tert-butyl 4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(2,3-dihydrobenzofuran-5-ylsulfonyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(2,3-dihydrobenzofuran-5-ylsulfonyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-1,4-diazepane-1-carboxylate Traditional Name: 4-coumaran-5-ylsulfonyl-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCC3

InChI

InChI=1S/C18H26N2O5S/c1-18(2,3)25-17(21)19-8-4-9-20(11-10-19)26(22,23)15-5-6-16-14(13-15)7-12-24-16/h5-6,13H,4,7-12H2,1-3H3