4-phenyl-1-(4-propylphenyl)sulfonyl-piperidine-4-carbonitrile

Systemtic Name: 4-phenyl-1-(4-propylphenyl)sulfonyl-piperidine-4-carbonitrile Openeye Name: 4-phenyl-1-(4-propylphenyl)sulfonyl-piperidine-4-carbonitrile CAS Name: 4-phenyl-1-(4-propylphenyl)sulfonyl-4-piperidinecarbonitrile IUPAC Name: 4-phenyl-1-(4-propylphenyl)sulfonylpiperidine-4-carbonitrile Traditional Name: 4-phenyl-1-(4-propylphenyl)sulfonyl-isonipecotonitrile Formula: C21H24N2O2S MolecularWeight: 368.49246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(C#N)C3=CC=CC=C3

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O2S/c1-2-6-18-9-11-20(12-10-18)26(24,25)23-15-13-21(17-22,14-16-23)19-7-4-3-5-8-19/h3-5,7-12H,2,6,13-16H2,1H3