2-(2-methoxyethyl)-6-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]pyridazin-3-one

Systemtic Name: 2-(2-methoxyethyl)-6-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]pyridazin-3-one Openeye Name: 2-(2-methoxyethyl)-6-[4-(p-tolylsulfonyl)-1,4-diazepane-1-carbonyl]pyridazin-3-one CAS Name: 2-(2-methoxyethyl)-6-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]-3-pyridazinone IUPAC Name: 2-(2-methoxyethyl)-6-[4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carbonyl]pyridazin-3-one Traditional Name: 2-(2-methoxyethyl)-6-(4-tosyl-1,4-diazepane-1-carbonyl)pyridazin-3-one Formula: C20H26N4O5S MolecularWeight: 434.50924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O5S/c1-16-4-6-17(7-5-16)30(27,28)23-11-3-10-22(12-13-23)20(26)18-8-9-19(25)24(21-18)14-15-29-2/h4-9H,3,10-15H2,1-2H3