N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-(dimethylsulfamoyl)benzamide

Systemtic Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-(dimethylsulfamoyl)benzamide Openeye Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-(dimethylsulfamoyl)benzamide CAS Name: N-[3-[6-(1-azepanyl)-3-pyridazinyl]phenyl]-4-(dimethylsulfamoyl)benzamide IUPAC Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-(dimethylsulfamoyl)benzamide Traditional Name: N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-(dimethylsulfamoyl)benzamide Formula: C25H29N5O3S MolecularWeight: 479.59446

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C25H29N5O3S/c1-29(2)34(32,33)22-12-10-19(11-13-22)25(31)26-21-9-7-8-20(18-21)23-14-15-24(28-27-23)30-16-5-3-4-6-17-30/h7-15,18H,3-6,16-17H2,1-2H3,(H,26,31)