4-methylsulfonyl-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-methylsulfonyl-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-methylsulfonyl-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-methylsulfonyl-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-methylsulfonyl-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-mesyl-N-(4-nitrophenyl)-1,4-diazepane-1-carboxamide Formula: C13H18N4O5S MolecularWeight: 342.37082

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H18N4O5S/c1-23(21,22)16-8-2-7-15(9-10-16)13(18)14-11-3-5-12(6-4-11)17(19)20/h3-6H,2,7-10H2,1H3,(H,14,18)