2-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-methyl-amino]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-methyl-amino]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)-N-methyl-2-nitro-anilino]-N,N-dimethyl-acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)-N-methyl-2-nitroanilino]-N,N-dimethylacetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)-N-methyl-2-nitroanilino]-N,N-dimethylacetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)-N-methyl-2-nitro-anilino]-N,N-dimethyl-acetamide Formula: C17H26N4O5S MolecularWeight: 398.47714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O5S/c1-18(2)17(22)13-19(3)15-9-8-14(12-16(15)21(23)24)27(25,26)20-10-6-4-5-7-11-20/h8-9,12H,4-7,10-11,13H2,1-3H3