N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-methyl-6-oxidanylidene-pyridazine-3-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-methyl-6-oxidanylidene-pyridazine-3-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-methyl-6-oxo-pyridazine-3-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-1-methyl-6-oxo-3-pyridazinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-6-keto-1-methyl-pyridazine-3-carboxamide Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=NN(C(=O)C=C2)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=NN(C(=O)C=C2)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H24N4O4S/c1-14-7-8-15(20-19(25)16-9-10-18(24)22(2)21-16)13-17(14)28(26,27)23-11-5-3-4-6-12-23/h7-10,13H,3-6,11-12H2,1-2H3,(H,20,25)