methyl 6-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridazine-3-carboxylate

Systemtic Name: methyl 6-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridazine-3-carboxylate Openeye Name: methyl 6-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]pyridazine-3-carboxylate CAS Name: 6-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-pyridazinecarboxylic acid methyl ester IUPAC Name: methyl 6-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridazine-3-carboxylate Traditional Name: 6-(4-tosyl-1,4-diazepan-1-yl)pyridazine-3-carboxylic acid methyl ester Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O4S/c1-14-4-6-15(7-5-14)27(24,25)22-11-3-10-21(12-13-22)17-9-8-16(19-20-17)18(23)26-2/h4-9H,3,10-13H2,1-2H3