6-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-(phenylmethyl)pyridazin-3-one

Systemtic Name: 6-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-(phenylmethyl)pyridazin-3-one Openeye Name: 2-benzyl-6-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)pyridazin-3-one CAS Name: 6-[4-methyl-3-(1-pyrrolidinylsulfonyl)phenyl]-2-(phenylmethyl)-3-pyridazinone IUPAC Name: 2-benzyl-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-benzyl-6-(4-methyl-3-pyrrolidinosulfonyl-phenyl)pyridazin-3-one Formula: C22H23N3O3S MolecularWeight: 409.50132

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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)S(=O)(=O)N4CCCC4

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S/c1-17-9-10-19(15-21(17)29(27,28)24-13-5-6-14-24)20-11-12-22(26)25(23-20)16-18-7-3-2-4-8-18/h2-4,7-12,15H,5-6,13-14,16H2,1H3