N-(4-methoxy-2-nitro-phenyl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-(4-methoxy-2-nitro-phenyl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide Openeye Name: N-(4-methoxy-2-nitro-phenyl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide CAS Name: N-(4-methoxy-2-nitrophenyl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide IUPAC Name: N-(4-methoxy-2-nitrophenyl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide Traditional Name: 4-mesyl-N-(4-methoxy-2-nitro-phenyl)-1,4-diazepane-1-carboxamide Formula: C14H20N4O6S MolecularWeight: 372.3968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)N2CCCN(CC2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)N2CCCN(CC2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C14H20N4O6S/c1-24-11-4-5-12(13(10-11)18(20)21)15-14(19)16-6-3-7-17(9-8-16)25(2,22)23/h4-5,10H,3,6-9H2,1-2H3,(H,15,19)