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

Systemtic Name: ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-2-methyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-2-methyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-2-methyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NS(=O)(=O)C3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NS(=O)(=O)C3=CC4=C(C=C3)OCCO4)C

InChI

InChI=1S/C21H21N3O6S/c1-3-28-21(25)19-13(2)22-15-6-4-5-7-16(15)23-20(19)24-31(26,27)14-8-9-17-18(12-14)30-11-10-29-17/h4-9,12,22H,3,10-11H2,1-2H3,(H,23,24)