N-(2-ethyl-6-methyl-phenyl)-4-(4-pyrimidin-5-ylphenyl)sulfonyl-piperidine-1-carboxamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-4-(4-pyrimidin-5-ylphenyl)sulfonyl-piperidine-1-carboxamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-4-(4-pyrimidin-5-ylphenyl)sulfonyl-piperidine-1-carboxamide CAS Name: N-(2-ethyl-6-methylphenyl)-4-[4-(5-pyrimidinyl)phenyl]sulfonyl-1-piperidinecarboxamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-4-(4-pyrimidin-5-ylphenyl)sulfonylpiperidine-1-carboxamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-4-[4-(5-pyrimidyl)phenyl]sulfonyl-piperidine-1-carboxamide Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)N2CCC(CC2)S(=O)(=O)C3=CC=C(C=C3)C4=CN=CN=C4)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)N2CCC(CC2)S(=O)(=O)C3=CC=C(C=C3)C4=CN=CN=C4)C

InChI

InChI=1S/C25H28N4O3S/c1-3-19-6-4-5-18(2)24(19)28-25(30)29-13-11-23(12-14-29)33(31,32)22-9-7-20(8-10-22)21-15-26-17-27-16-21/h4-10,15-17,23H,3,11-14H2,1-2H3,(H,28,30)