5-chloranyl-2-methylsulfanyl-N-[4-[4-(phenylmethyl)piperidin-1-yl]sulfonylphenyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-methylsulfanyl-N-[4-[4-(phenylmethyl)piperidin-1-yl]sulfonylphenyl]pyrimidine-4-carboxamide Openeye Name: N-[4-[(4-benzyl-1-piperidyl)sulfonyl]phenyl]-5-chloro-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(methylthio)-N-[4-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]phenyl]-4-pyrimidinecarboxamide IUPAC Name: N-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: N-[4-(4-benzylpiperidino)sulfonylphenyl]-5-chloro-2-(methylthio)pyrimidine-4-carboxamide Formula: C24H25ClN4O3S2 MolecularWeight: 517.0633

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C24H25ClN4O3S2/c1-33-24-26-16-21(25)22(28-24)23(30)27-19-7-9-20(10-8-19)34(31,32)29-13-11-18(12-14-29)15-17-5-3-2-4-6-17/h2-10,16,18H,11-15H2,1H3,(H,27,30)