N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1-(4-methylphenyl)-4-oxidanylidene-pyridazine-3-carboxamide

Systemtic Name: N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1-(4-methylphenyl)-4-oxidanylidene-pyridazine-3-carboxamide Openeye Name: N-[4-[[(2S)-2-ethyl-1-piperidyl]sulfonyl]phenyl]-4-oxo-1-(p-tolyl)pyridazine-3-carboxamide CAS Name: N-[4-[[(2S)-2-ethyl-1-piperidinyl]sulfonyl]phenyl]-1-(4-methylphenyl)-4-oxo-3-pyridazinecarboxamide IUPAC Name: N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide Traditional Name: N-[4-[(2S)-2-ethylpiperidino]sulfonylphenyl]-4-keto-1-(p-tolyl)pyridazine-3-carboxamide Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NN(C=CC3=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC[C@H]1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NN(C=CC3=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H28N4O4S/c1-3-20-6-4-5-16-29(20)34(32,33)22-13-9-19(10-14-22)26-25(31)24-23(30)15-17-28(27-24)21-11-7-18(2)8-12-21/h7-15,17,20H,3-6,16H2,1-2H3,(H,26,31)/t20-/m0/s1