N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide

Systemtic Name: N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide Openeye Name: N-[4-[[(2R)-2-methyl-1-piperidyl]sulfonyl]phenyl]-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide CAS Name: N-[4-[[(2R)-2-methyl-1-piperidinyl]sulfonyl]phenyl]-5-(6-oxo-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazole-3-carboxamide IUPAC Name: N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide Traditional Name: 5-(6-ketocyclohexa-2,4-dien-1-ylidene)-N-[4-[(2R)-2-methylpiperidino]sulfonylphenyl]-3-pyrazoline-3-carboxamide Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C4C=CC=CC4=O)NN3

Isomeric SMILES

C[C@@H]1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C4C=CC=CC4=O)NN3

InChI

InChI=1S/C22H24N4O4S/c1-15-6-4-5-13-26(15)31(29,30)17-11-9-16(10-12-17)23-22(28)20-14-19(24-25-20)18-7-2-3-8-21(18)27/h2-3,7-12,14-15,24-25H,4-6,13H2,1H3,(H,23,28)/t15-/m1/s1