6-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-2-(2-phenoxyethyl)pyridazin-3-one

Systemtic Name: 6-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-2-(2-phenoxyethyl)pyridazin-3-one Openeye Name: 6-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-2-(2-phenoxyethyl)pyridazin-3-one CAS Name: 6-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-2-(2-phenoxyethyl)-3-pyridazinone IUPAC Name: 6-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(2-phenoxyethyl)pyridazin-3-one Traditional Name: 6-(4-methyl-3-piperidinosulfonyl-phenyl)-2-(2-phenoxyethyl)pyridazin-3-one Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CCOC3=CC=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CCOC3=CC=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C24H27N3O4S/c1-19-10-11-20(18-23(19)32(29,30)26-14-6-3-7-15-26)22-12-13-24(28)27(25-22)16-17-31-21-8-4-2-5-9-21/h2,4-5,8-13,18H,3,6-7,14-17H2,1H3