4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-nitrophenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-nitrophenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(3,5-dimethylisoxazol-4-yl)sulfonyl-N-(3-nitrophenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-N-(3-nitrophenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-nitrophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(3,5-dimethylisoxazol-4-yl)sulfonyl-N-(3-nitrophenyl)-1,4-diazepane-1-carboxamide Formula: C17H21N5O6S MolecularWeight: 423.44354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O6S/c1-12-16(13(2)28-19-12)29(26,27)21-8-4-7-20(9-10-21)17(23)18-14-5-3-6-15(11-14)22(24)25/h3,5-6,11H,4,7-10H2,1-2H3,(H,18,23)