4-phenyl-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carbonitrile

Systemtic Name: 4-phenyl-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carbonitrile Openeye Name: 4-phenyl-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carbonitrile CAS Name: 4-phenyl-1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarbonitrile IUPAC Name: 4-phenyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbonitrile Traditional Name: 1-mesitylsulfonyl-4-phenyl-isonipecotonitrile Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)(C#N)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)(C#N)C3=CC=CC=C3)C

InChI

InChI=1S/C21H24N2O2S/c1-16-13-17(2)20(18(3)14-16)26(24,25)23-11-9-21(15-22,10-12-23)19-7-5-4-6-8-19/h4-8,13-14H,9-12H2,1-3H3