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

Systemtic Name: 5-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridazin-3-yl]-2-ethyl-benzenesulfonamide Openeye Name: 5-[6-[(3S,5R)-3,5-dimethyl-1-piperidyl]pyridazin-3-yl]-2-ethyl-benzenesulfonamide CAS Name: 5-[6-[(3S,5R)-3,5-dimethyl-1-piperidinyl]-3-pyridazinyl]-2-ethylbenzenesulfonamide IUPAC Name: 5-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridazin-3-yl]-2-ethylbenzenesulfonamide Traditional Name: 5-[6-[(3S,5R)-3,5-dimethylpiperidino]pyridazin-3-yl]-2-ethyl-benzenesulfonamide Formula: C19H26N4O2S MolecularWeight: 374.50034

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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)N

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)N

InChI

InChI=1S/C19H26N4O2S/c1-4-15-5-6-16(10-18(15)26(20,24)25)17-7-8-19(22-21-17)23-11-13(2)9-14(3)12-23/h5-8,10,13-14H,4,9,11-12H2,1-3H3,(H2,20,24,25)/t13-,14+