methyl N-[4-[[6-(3-methoxy-4-methylsulfonyl-phenyl)-4,5-dihydro-3H-pyridazin-2-yl]carbonyl]phenyl]carbamate

Systemtic Name: methyl N-[4-[[6-(3-methoxy-4-methylsulfonyl-phenyl)-4,5-dihydro-3H-pyridazin-2-yl]carbonyl]phenyl]carbamate Openeye Name: methyl N-[4-[6-(3-methoxy-4-methylsulfonyl-phenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamate CAS Name: N-[4-[[6-(3-methoxy-4-methylsulfonylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-oxomethyl]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[4-[6-(3-methoxy-4-methylsulfonylphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamate Traditional Name: N-[4-[6-(4-mesyl-3-methoxy-phenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]carbamic acid methyl ester Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NN(CCC2)C(=O)C3=CC=C(C=C3)NC(=O)OC)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NN(CCC2)C(=O)C3=CC=C(C=C3)NC(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C21H23N3O6S/c1-29-18-13-15(8-11-19(18)31(3,27)28)17-5-4-12-24(23-17)20(25)14-6-9-16(10-7-14)22-21(26)30-2/h6-11,13H,4-5,12H2,1-3H3,(H,22,26)