5-chloranyl-4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1H-pyridazin-6-one

Systemtic Name: 5-chloranyl-4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1H-pyridazin-6-one Openeye Name: 5-chloro-4-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]-1H-pyridazin-6-one CAS Name: 5-chloro-4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1H-pyridazin-6-one IUPAC Name: 5-chloro-4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1H-pyridazin-6-one Traditional Name: 5-chloro-4-(4-tosyl-1,4-diazepan-1-yl)-1H-pyridazin-6-one Formula: C16H19ClN4O3S MolecularWeight: 382.86506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=C(C(=O)NN=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=C(C(=O)NN=C3)Cl

InChI

InChI=1S/C16H19ClN4O3S/c1-12-3-5-13(6-4-12)25(23,24)21-8-2-7-20(9-10-21)14-11-18-19-16(22)15(14)17/h3-6,11H,2,7-10H2,1H3,(H,19,22)