N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxamide

Systemtic Name: N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxamide Openeye Name: 1-benzyl-N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-6-oxo-pyridazine-3-carboxamide CAS Name: N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-6-oxo-1-(phenylmethyl)-3-pyridazinecarboxamide IUPAC Name: 1-benzyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-6-oxopyridazine-3-carboxamide Traditional Name: 1-benzyl-6-keto-N-(2-methyl-5-piperidinosulfonyl-phenyl)pyridazine-3-carboxamide Formula: C24H26N4O4S MolecularWeight: 466.55264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O4S/c1-18-10-11-20(33(31,32)27-14-6-3-7-15-27)16-22(18)25-24(30)21-12-13-23(29)28(26-21)17-19-8-4-2-5-9-19/h2,4-5,8-13,16H,3,6-7,14-15,17H2,1H3,(H,25,30)