5-chloranyl-2-(phenylmethylsulfanyl)-N-(4-piperidin-1-ylsulfonylphenyl)pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-(phenylmethylsulfanyl)-N-(4-piperidin-1-ylsulfonylphenyl)pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfanyl-5-chloro-N-[4-(1-piperidylsulfonyl)phenyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(phenylmethylthio)-N-[4-(1-piperidinylsulfonyl)phenyl]-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfanyl-5-chloro-N-(4-piperidin-1-ylsulfonylphenyl)pyrimidine-4-carboxamide Traditional Name: 2-(benzylthio)-5-chloro-N-(4-piperidinosulfonylphenyl)pyrimidine-4-carboxamide Formula: C23H23ClN4O3S2 MolecularWeight: 503.03672

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NC(=NC=C3Cl)SCC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NC(=NC=C3Cl)SCC4=CC=CC=C4

InChI

InChI=1S/C23H23ClN4O3S2/c24-20-15-25-23(32-16-17-7-3-1-4-8-17)27-21(20)22(29)26-18-9-11-19(12-10-18)33(30,31)28-13-5-2-6-14-28/h1,3-4,7-12,15H,2,5-6,13-14,16H2,(H,26,29)