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

Systemtic Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-methyl-3,5-dinitro-benzenesulfonamide Openeye Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-methyl-3,5-dinitro-benzenesulfonamide CAS Name: N-[4-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-4-methyl-3,5-dinitrobenzenesulfonamide IUPAC Name: N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-methyl-3,5-dinitrobenzenesulfonamide Traditional Name: N-[4-[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=C(C=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=C(C=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)26-18-8-6-17(7-9-18)20-10-11-23(25-24-20)27-12-4-2-3-5-13-27/h6-11,14-15,26H,2-5,12-13H2,1H3