5-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridazin-3-yl]-2-ethyl-N-methyl-benzenesulfonamide

Systemtic Name: 5-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridazin-3-yl]-2-ethyl-N-methyl-benzenesulfonamide Openeye Name: 5-[6-[(3S,5R)-3,5-dimethyl-1-piperidyl]pyridazin-3-yl]-2-ethyl-N-methyl-benzenesulfonamide CAS Name: 5-[6-[(3S,5R)-3,5-dimethyl-1-piperidinyl]-3-pyridazinyl]-2-ethyl-N-methylbenzenesulfonamide IUPAC Name: 5-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridazin-3-yl]-2-ethyl-N-methylbenzenesulfonamide Traditional Name: 5-[6-[(3S,5R)-3,5-dimethylpiperidino]pyridazin-3-yl]-2-ethyl-N-methyl-benzenesulfonamide Formula: C20H28N4O2S MolecularWeight: 388.52692

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C2=NN=C(C=C2)N3CC(CC(C3)C)C)S(=O)(=O)NC

Isomeric SMILES

CCC1=C(C=C(C=C1)C2=NN=C(C=C2)N3C[C@@H](C[C@@H](C3)C)C)S(=O)(=O)NC

InChI

InChI=1S/C20H28N4O2S/c1-5-16-6-7-17(11-19(16)27(25,26)21-4)18-8-9-20(23-22-18)24-12-14(2)10-15(3)13-24/h6-9,11,14-15,21H,5,10,12-13H2,1-4H3/t14-,15+