N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-3-pyridin-2-ylsulfanyl-propanamide

Systemtic Name: N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-3-pyridin-2-ylsulfanyl-propanamide Openeye Name: N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-3-(2-pyridylsulfanyl)propanamide CAS Name: N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-3-(2-pyridinylthio)propanamide IUPAC Name: N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-pyridin-2-ylsulfanylpropanamide Traditional Name: N-(4-methoxy-3-piperidinosulfonyl-phenyl)-3-(2-pyridylthio)propionamide Formula: C20H25N3O4S2 MolecularWeight: 435.5602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CCSC2=CC=CC=N2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CCSC2=CC=CC=N2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H25N3O4S2/c1-27-17-9-8-16(15-18(17)29(25,26)23-12-5-2-6-13-23)22-19(24)10-14-28-20-7-3-4-11-21-20/h3-4,7-9,11,15H,2,5-6,10,12-14H2,1H3,(H,22,24)