N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(2-methoxy-5-nitro-phenyl)methanesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(2-methoxy-5-nitro-phenyl)methanesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(2-methoxy-5-nitro-phenyl)methanesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-N-(2-methoxy-5-nitrophenyl)methanesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-methoxy-5-nitrophenyl)methanesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-N-(2-methoxy-5-nitro-phenyl)methanesulfonamide Formula: C16H23N3O6S MolecularWeight: 385.43532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)N2CCCCCC2)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)N2CCCCCC2)S(=O)(=O)C

InChI

InChI=1S/C16H23N3O6S/c1-25-15-8-7-13(19(21)22)11-14(15)18(26(2,23)24)12-16(20)17-9-5-3-4-6-10-17/h7-8,11H,3-6,9-10,12H2,1-2H3