ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=CC=CC=C2N1)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC2=CC=CC=C2N1)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4)C(=O)OCC

InChI

InChI=1S/C22H23N3O6S/c1-3-15-20(22(26)29-4-2)21(24-17-8-6-5-7-16(17)23-15)25-32(27,28)14-9-10-18-19(13-14)31-12-11-30-18/h5-10,13,23H,3-4,11-12H2,1-2H3,(H,24,25)