N-(2-cyanophenyl)-4-(4-pyrimidin-5-ylphenyl)sulfonyl-piperidine-1-carboxamide

Systemtic Name: N-(2-cyanophenyl)-4-(4-pyrimidin-5-ylphenyl)sulfonyl-piperidine-1-carboxamide Openeye Name: N-(2-cyanophenyl)-4-(4-pyrimidin-5-ylphenyl)sulfonyl-piperidine-1-carboxamide CAS Name: N-(2-cyanophenyl)-4-[4-(5-pyrimidinyl)phenyl]sulfonyl-1-piperidinecarboxamide IUPAC Name: N-(2-cyanophenyl)-4-(4-pyrimidin-5-ylphenyl)sulfonylpiperidine-1-carboxamide Traditional Name: N-(2-cyanophenyl)-4-[4-(5-pyrimidyl)phenyl]sulfonyl-piperidine-1-carboxamide Formula: C23H21N5O3S MolecularWeight: 447.50954

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1S(=O)(=O)C2=CC=C(C=C2)C3=CN=CN=C3)C(=O)NC4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCC1S(=O)(=O)C2=CC=C(C=C2)C3=CN=CN=C3)C(=O)NC4=CC=CC=C4C#N

InChI

InChI=1S/C23H21N5O3S/c24-13-18-3-1-2-4-22(18)27-23(29)28-11-9-21(10-12-28)32(30,31)20-7-5-17(6-8-20)19-14-25-16-26-15-19/h1-8,14-16,21H,9-12H2,(H,27,29)