2-[(4-cyanophenyl)methylsulfonyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamide

Systemtic Name: 2-[(4-cyanophenyl)methylsulfonyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamide Openeye Name: 2-[(4-cyanophenyl)methylsulfonyl]-N-(1-pyrimidin-2-yl-4-piperidyl)acetamide CAS Name: 2-[(4-cyanophenyl)methylsulfonyl]-N-[1-(2-pyrimidinyl)-4-piperidinyl]acetamide IUPAC Name: 2-[(4-cyanophenyl)methylsulfonyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide Traditional Name: 2-(4-cyanobenzyl)sulfonyl-N-[1-(2-pyrimidyl)-4-piperidyl]acetamide Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)CS(=O)(=O)CC2=CC=C(C=C2)C#N)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCC1NC(=O)CS(=O)(=O)CC2=CC=C(C=C2)C#N)C3=NC=CC=N3

InChI

InChI=1S/C19H21N5O3S/c20-12-15-2-4-16(5-3-15)13-28(26,27)14-18(25)23-17-6-10-24(11-7-17)19-21-8-1-9-22-19/h1-5,8-9,17H,6-7,10-11,13-14H2,(H,23,25)