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

Systemtic Name: 5-(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-dihydropyrazole-3-carboxamide Openeye Name: 5-(3-chloro-6-oxo-cyclohexa-2,4-dien-1-ylidene)-N-[4-(1-piperidylsulfonyl)phenyl]-1,2-dihydropyrazole-3-carboxamide CAS Name: 5-(3-chloro-6-oxo-1-cyclohexa-2,4-dienylidene)-N-[4-(1-piperidinylsulfonyl)phenyl]-1,2-dihydropyrazole-3-carboxamide IUPAC Name: 5-(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-dihydropyrazole-3-carboxamide Traditional Name: 5-(3-chloro-6-keto-cyclohexa-2,4-dien-1-ylidene)-N-(4-piperidinosulfonylphenyl)-3-pyrazoline-3-carboxamide Formula: C21H21ClN4O4S MolecularWeight: 460.93384

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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=C(C=CC4=O)Cl)NN3

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O4S/c22-14-4-9-20(27)17(12-14)18-13-19(25-24-18)21(28)23-15-5-7-16(8-6-15)31(29,30)26-10-2-1-3-11-26/h4-9,12-13,24-25H,1-3,10-11H2,(H,23,28)