5-chloranyl-2-[(3-methylphenyl)methylsulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-[(3-methylphenyl)methylsulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-(m-tolylmethylsulfanyl)-N-[4-(1-piperidylsulfonyl)phenyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-[(3-methylphenyl)methylthio]-N-[4-(1-piperidinylsulfonyl)phenyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-[(3-methylphenyl)methylsulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-[(3-methylbenzyl)thio]-N-(4-piperidinosulfonylphenyl)pyrimidine-4-carboxamide Formula: C24H25ClN4O3S2 MolecularWeight: 517.0633

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)Cl

InChI

InChI=1S/C24H25ClN4O3S2/c1-17-6-5-7-18(14-17)16-33-24-26-15-21(25)22(28-24)23(30)27-19-8-10-20(11-9-19)34(31,32)29-12-3-2-4-13-29/h5-11,14-15H,2-4,12-13,16H2,1H3,(H,27,30)