4-(azepan-1-ylsulfonyl)-N,N-dimethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N,N-dimethyl-3-nitro-benzenesulfonamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N,N-dimethyl-3-nitro-benzenesulfonamide CAS Name: 4-(1-azepanylsulfonyl)-N,N-dimethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N,N-dimethyl-3-nitrobenzenesulfonamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N,N-dimethyl-3-nitro-benzenesulfonamide Formula: C14H21N3O6S2 MolecularWeight: 391.46304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O6S2/c1-15(2)24(20,21)12-7-8-14(13(11-12)17(18)19)25(22,23)16-9-5-3-4-6-10-16/h7-8,11H,3-6,9-10H2,1-2H3