N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[3-(2-methylphenyl)-6-oxidanylidene-pyridazin-1-yl]ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[3-(2-methylphenyl)-6-oxidanylidene-pyridazin-1-yl]ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[3-(o-tolyl)-6-oxo-pyridazin-1-yl]acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[3-(2-methylphenyl)-6-oxo-1-pyridazinyl]acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[6-keto-3-(o-tolyl)pyridazin-1-yl]acetamide Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(C(=O)C=C2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C(=O)C=C2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H28N4O4S/c1-19-8-4-5-9-22(19)23-14-15-25(31)29(27-23)18-24(30)26-20-10-12-21(13-11-20)34(32,33)28-16-6-2-3-7-17-28/h4-5,8-15H,2-3,6-7,16-18H2,1H3,(H,26,30)