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

Systemtic Name: ethyl 2-ethyl-4-[(2-methoxyphenyl)sulfonylamino]-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-ethyl-4-[(2-methoxyphenyl)sulfonylamino]-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-ethyl-4-[(2-methoxyphenyl)sulfonylamino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-ethyl-4-[(2-methoxyphenyl)sulfonylamino]-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-ethyl-4-[(2-methoxyphenyl)sulfonylamino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=CC=CC=C2N1)NS(=O)(=O)C3=CC=CC=C3OC)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC2=CC=CC=C2N1)NS(=O)(=O)C3=CC=CC=C3OC)C(=O)OCC

InChI

InChI=1S/C21H23N3O5S/c1-4-14-19(21(25)29-5-2)20(23-16-11-7-6-10-15(16)22-14)24-30(26,27)18-13-9-8-12-17(18)28-3/h6-13,22H,4-5H2,1-3H3,(H,23,24)