N-(3-chloranyl-4-methoxy-phenyl)-3-[(3R)-1-(2-methylsulfanylpyridin-3-yl)carbonylpiperidin-3-yl]propanamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-3-[(3R)-1-(2-methylsulfanylpyridin-3-yl)carbonylpiperidin-3-yl]propanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-3-[(3R)-1-(2-methylsulfanylpyridine-3-carbonyl)-3-piperidyl]propanamide CAS Name: N-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-[[2-(methylthio)-3-pyridinyl]-oxomethyl]-3-piperidinyl]propanamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-(2-methylsulfanylpyridine-3-carbonyl)piperidin-3-yl]propanamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-3-[(3R)-1-[2-(methylthio)nicotinoyl]-3-piperidyl]propionamide Formula: C22H26ClN3O3S MolecularWeight: 447.97814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CCC2CCCN(C2)C(=O)C3=C(N=CC=C3)SC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CC[C@H]2CCCN(C2)C(=O)C3=C(N=CC=C3)SC)Cl

InChI

InChI=1S/C22H26ClN3O3S/c1-29-19-9-8-16(13-18(19)23)25-20(27)10-7-15-5-4-12-26(14-15)22(28)17-6-3-11-24-21(17)30-2/h3,6,8-9,11,13,15H,4-5,7,10,12,14H2,1-2H3,(H,25,27)/t15-/m1/s1