N-methyl-N-(7-nitro-4-oxidanyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)ethanesulfonamide

Systemtic Name: N-methyl-N-(7-nitro-4-oxidanyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)ethanesulfonamide Openeye Name: N-(4-hydroxy-7-nitro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-N-methyl-ethanesulfonamide CAS Name: N-(4-hydroxy-7-nitro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-N-methylethanesulfonamide IUPAC Name: N-(4-hydroxy-7-nitro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-N-methylethanesulfonamide Traditional Name: N-(4-hydroxy-7-nitro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-N-methyl-ethanesulfonamide Formula: C13H18N2O6S MolecularWeight: 330.35682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N(C)C1C(CCOC2=C1C=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CCS(=O)(=O)N(C)C1C(CCOC2=C1C=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C13H18N2O6S/c1-3-22(19,20)14(2)13-10-8-9(15(17)18)4-5-12(10)21-7-6-11(13)16/h4-5,8,11,13,16H,3,6-7H2,1-2H3