5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-dihydropyrazole-3-carboxamide

Systemtic Name: 5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-dihydropyrazole-3-carboxamide Openeye Name: 5-(6-oxocyclohexa-2,4-dien-1-ylidene)-N-[4-(1-piperidylsulfonyl)phenyl]-1,2-dihydropyrazole-3-carboxamide CAS Name: 5-(6-oxo-1-cyclohexa-2,4-dienylidene)-N-[4-(1-piperidinylsulfonyl)phenyl]-1,2-dihydropyrazole-3-carboxamide IUPAC Name: 5-(6-oxocyclohexa-2,4-dien-1-ylidene)-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-dihydropyrazole-3-carboxamide Traditional Name: 5-(6-ketocyclohexa-2,4-dien-1-ylidene)-N-(4-piperidinosulfonylphenyl)-3-pyrazoline-3-carboxamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C4C=CC=CC4=O)NN3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C4C=CC=CC4=O)NN3

InChI

InChI=1S/C21H22N4O4S/c26-20-7-3-2-6-17(20)18-14-19(24-23-18)21(27)22-15-8-10-16(11-9-15)30(28,29)25-12-4-1-5-13-25/h2-3,6-11,14,23-24H,1,4-5,12-13H2,(H,22,27)