3-[3-(azepan-1-ylsulfonyl)-4,5-dimethyl-phenyl]-1H-pyridazin-6-one

Systemtic Name: 3-[3-(azepan-1-ylsulfonyl)-4,5-dimethyl-phenyl]-1H-pyridazin-6-one Openeye Name: 3-[3-(azepan-1-ylsulfonyl)-4,5-dimethyl-phenyl]-1H-pyridazin-6-one CAS Name: 3-[3-(1-azepanylsulfonyl)-4,5-dimethylphenyl]-1H-pyridazin-6-one IUPAC Name: 3-[3-(azepan-1-ylsulfonyl)-4,5-dimethylphenyl]-1H-pyridazin-6-one Traditional Name: 3-[3-(azepan-1-ylsulfonyl)-4,5-dimethyl-phenyl]-1H-pyridazin-6-one Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C2=NNC(=O)C=C2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C2=NNC(=O)C=C2)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C18H23N3O3S/c1-13-11-15(16-7-8-18(22)20-19-16)12-17(14(13)2)25(23,24)21-9-5-3-4-6-10-21/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,20,22)