2-(1H-benzimidazol-2-yl)-4-chloranyl-5-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one

Systemtic Name: 2-(1H-benzimidazol-2-yl)-4-chloranyl-5-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one Openeye Name: 2-(1H-benzimidazol-2-yl)-4-chloro-5-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]pyridazin-3-one CAS Name: 2-(1H-benzimidazol-2-yl)-4-chloro-5-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-pyridazinone IUPAC Name: 2-(1H-benzimidazol-2-yl)-4-chloro-5-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one Traditional Name: 2-(1H-benzimidazol-2-yl)-4-chloro-5-(4-tosyl-1,4-diazepan-1-yl)pyridazin-3-one Formula: C23H23ClN6O3S MolecularWeight: 498.98512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=C(C(=O)N(N=C3)C4=NC5=CC=CC=C5N4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=C(C(=O)N(N=C3)C4=NC5=CC=CC=C5N4)Cl

InChI

InChI=1S/C23H23ClN6O3S/c1-16-7-9-17(10-8-16)34(32,33)29-12-4-11-28(13-14-29)20-15-25-30(22(31)21(20)24)23-26-18-5-2-3-6-19(18)27-23/h2-3,5-10,15H,4,11-14H2,1H3,(H,26,27)