N-[4-[(2R,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-6-oxidanylidene-1-propyl-pyridazine-3-carboxamide

Systemtic Name: N-[4-[(2R,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-6-oxidanylidene-1-propyl-pyridazine-3-carboxamide Openeye Name: N-[4-[[(2R,6R)-2,6-dimethyl-1-piperidyl]sulfonyl]phenyl]-6-oxo-1-propyl-pyridazine-3-carboxamide CAS Name: N-[4-[[(2R,6R)-2,6-dimethyl-1-piperidinyl]sulfonyl]phenyl]-6-oxo-1-propyl-3-pyridazinecarboxamide IUPAC Name: N-[4-[(2R,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-6-oxo-1-propylpyridazine-3-carboxamide Traditional Name: N-[4-[(2R,6R)-2,6-dimethylpiperidino]sulfonylphenyl]-6-keto-1-propyl-pyridazine-3-carboxamide Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C=CC(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3C(CCCC3C)C

Isomeric SMILES

CCCN1C(=O)C=CC(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3[C@@H](CCC[C@H]3C)C

InChI

InChI=1S/C21H28N4O4S/c1-4-14-24-20(26)13-12-19(23-24)21(27)22-17-8-10-18(11-9-17)30(28,29)25-15(2)6-5-7-16(25)3/h8-13,15-16H,4-7,14H2,1-3H3,(H,22,27)/t15-,16-/m1/s1