N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-methyl-3,5-dinitro-benzenesulfonamide

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-methyl-3,5-dinitro-benzenesulfonamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-methyl-3,5-dinitro-benzenesulfonamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-4-methyl-3,5-dinitrobenzenesulfonamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-methyl-3,5-dinitrobenzenesulfonamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-methyl-3,5-dinitro-benzenesulfonamide Formula: C23H24N6O6S MolecularWeight: 512.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H24N6O6S/c1-16-21(28(30)31)14-19(15-22(16)29(32)33)36(34,35)26-18-8-6-7-17(13-18)20-9-10-23(25-24-20)27-11-4-2-3-5-12-27/h6-10,13-15,26H,2-5,11-12H2,1H3