4-methylsulfonyl-N-(2-nitrophenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-methylsulfonyl-N-(2-nitrophenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-methylsulfonyl-N-(2-nitrophenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-methylsulfonyl-N-(2-nitrophenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-methylsulfonyl-N-(2-nitrophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-mesyl-N-(2-nitrophenyl)-1,4-diazepane-1-carboxamide Formula: C13H18N4O5S MolecularWeight: 342.37082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O5S/c1-23(21,22)16-8-4-7-15(9-10-16)13(18)14-11-5-2-3-6-12(11)17(19)20/h2-3,5-6H,4,7-10H2,1H3,(H,14,18)