2-[(3-bromophenyl)methyl]-6-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)pyridazin-3-one

Systemtic Name: 2-[(3-bromophenyl)methyl]-6-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)pyridazin-3-one Openeye Name: 2-[(3-bromophenyl)methyl]-6-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)pyridazin-3-one CAS Name: 2-[(3-bromophenyl)methyl]-6-[4-methyl-3-(1-pyrrolidinylsulfonyl)phenyl]-3-pyridazinone IUPAC Name: 2-[(3-bromophenyl)methyl]-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-(3-bromobenzyl)-6-(4-methyl-3-pyrrolidinosulfonyl-phenyl)pyridazin-3-one Formula: C22H22BrN3O3S MolecularWeight: 488.39738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CC3=CC(=CC=C3)Br)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CC3=CC(=CC=C3)Br)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H22BrN3O3S/c1-16-7-8-18(14-21(16)30(28,29)25-11-2-3-12-25)20-9-10-22(27)26(24-20)15-17-5-4-6-19(23)13-17/h4-10,13-14H,2-3,11-12,15H2,1H3