N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C23H25N5O4S MolecularWeight: 467.5407

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O4S/c1-17-9-10-20(28(29)30)16-22(17)33(31,32)26-19-8-6-7-18(15-19)21-11-12-23(25-24-21)27-13-4-2-3-5-14-27/h6-12,15-16,26H,2-5,13-14H2,1H3