2-[3-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-6-oxidanylidene-pyridazin-1-yl]-N-phenyl-butanamide

Systemtic Name: 2-[3-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-6-oxidanylidene-pyridazin-1-yl]-N-phenyl-butanamide Openeye Name: 2-[3-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-6-oxo-pyridazin-1-yl]-N-phenyl-butanamide CAS Name: 2-[3-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-6-oxo-1-pyridazinyl]-N-phenylbutanamide IUPAC Name: 2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide Traditional Name: 2-[6-keto-3-(4-methyl-3-piperidinosulfonyl-phenyl)pyridazin-1-yl]-N-phenyl-butyramide Formula: C26H30N4O4S MolecularWeight: 494.6058

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)N2C(=O)C=CC(=N2)C3=CC(=C(C=C3)C)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1)N2C(=O)C=CC(=N2)C3=CC(=C(C=C3)C)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C26H30N4O4S/c1-3-23(26(32)27-21-10-6-4-7-11-21)30-25(31)15-14-22(28-30)20-13-12-19(2)24(18-20)35(33,34)29-16-8-5-9-17-29/h4,6-7,10-15,18,23H,3,5,8-9,16-17H2,1-2H3,(H,27,32)