4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]butanamide

Systemtic Name: 4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]butanamide Openeye Name: 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[[2-(1-piperidylsulfonyl)phenyl]methyl]butanamide CAS Name: 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[[2-(1-piperidinylsulfonyl)phenyl]methyl]butanamide IUPAC Name: 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]butanamide Traditional Name: 4-keto-4-(3-phenyl-2-pyrazolin-1-yl)-N-(2-piperidinosulfonylbenzyl)butyramide Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2CNC(=O)CCC(=O)N3CCC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2CNC(=O)CCC(=O)N3CCC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4O4S/c30-24(13-14-25(31)29-18-15-22(27-29)20-9-3-1-4-10-20)26-19-21-11-5-6-12-23(21)34(32,33)28-16-7-2-8-17-28/h1,3-6,9-12H,2,7-8,13-19H2,(H,26,30)