2-methylsulfonyl-6-(1-propylpiperidin-4-yl)benzenecarbonitrile

Systemtic Name: 2-methylsulfonyl-6-(1-propylpiperidin-4-yl)benzenecarbonitrile Openeye Name: 2-methylsulfonyl-6-(1-propyl-4-piperidyl)benzonitrile CAS Name: 2-methylsulfonyl-6-(1-propyl-4-piperidinyl)benzonitrile IUPAC Name: 2-methylsulfonyl-6-(1-propylpiperidin-4-yl)benzonitrile Traditional Name: 2-mesyl-6-(1-propyl-4-piperidyl)benzonitrile Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1)C2=C(C(=CC=C2)S(=O)(=O)C)C#N

Isomeric SMILES

CCCN1CCC(CC1)C2=C(C(=CC=C2)S(=O)(=O)C)C#N

InChI

InChI=1S/C16H22N2O2S/c1-3-9-18-10-7-13(8-11-18)14-5-4-6-16(15(14)12-17)21(2,19)20/h4-6,13H,3,7-11H2,1-2H3