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

Systemtic Name: 1-(4-butylphenyl)sulfonyl-4-phenyl-piperidine-4-carbonitrile Openeye Name: 1-(4-butylphenyl)sulfonyl-4-phenyl-piperidine-4-carbonitrile CAS Name: 1-(4-butylphenyl)sulfonyl-4-phenyl-4-piperidinecarbonitrile IUPAC Name: 1-(4-butylphenyl)sulfonyl-4-phenylpiperidine-4-carbonitrile Traditional Name: 1-(4-butylphenyl)sulfonyl-4-phenyl-isonipecotonitrile Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(C#N)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C22H26N2O2S/c1-2-3-7-19-10-12-21(13-11-19)27(25,26)24-16-14-22(18-23,15-17-24)20-8-5-4-6-9-20/h4-6,8-13H,2-3,7,14-17H2,1H3