N-(3-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanyl-propanamide

Systemtic Name: N-(3-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanyl-propanamide Openeye Name: N-[3-(1-piperidylsulfonyl)phenyl]-2-pyrimidin-2-ylsulfanyl-propanamide CAS Name: N-[3-(1-piperidinylsulfonyl)phenyl]-2-(2-pyrimidinylthio)propanamide IUPAC Name: N-(3-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylpropanamide Traditional Name: N-(3-piperidinosulfonylphenyl)-2-(2-pyrimidylthio)propionamide Formula: C18H22N4O3S2 MolecularWeight: 406.52228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2)SC3=NC=CC=N3

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2)SC3=NC=CC=N3

InChI

InChI=1S/C18H22N4O3S2/c1-14(26-18-19-9-6-10-20-18)17(23)21-15-7-5-8-16(13-15)27(24,25)22-11-3-2-4-12-22/h5-10,13-14H,2-4,11-12H2,1H3,(H,21,23)