ethyl 4-[(2-methoxyphenyl)sulfonylamino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 4-[(2-methoxyphenyl)sulfonylamino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-[(2-methoxyphenyl)sulfonylamino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-[(2-methoxyphenyl)sulfonylamino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-methoxyphenyl)sulfonylamino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-[(2-methoxyphenyl)sulfonylamino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NS(=O)(=O)C3=CC=CC=C3OC)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NS(=O)(=O)C3=CC=CC=C3OC)C

InChI

InChI=1S/C20H21N3O5S/c1-4-28-20(24)18-13(2)21-14-9-5-6-10-15(14)22-19(18)23-29(25,26)17-12-8-7-11-16(17)27-3/h5-12,21H,4H2,1-3H3,(H,22,23)