1-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-4-phenyl-piperidine-4-carbonitrile

Systemtic Name: 1-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-4-phenyl-piperidine-4-carbonitrile Openeye Name: 1-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-4-phenyl-piperidine-4-carbonitrile CAS Name: 1-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-4-phenyl-4-piperidinecarbonitrile IUPAC Name: 1-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-4-phenylpiperidine-4-carbonitrile Traditional Name: 1-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-4-phenyl-isonipecotonitrile Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)N2CCC(CC2)(C#N)C3=CC=CC=C3)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)N2CCC(CC2)(C#N)C3=CC=CC=C3)C)C)OC

InChI

InChI=1S/C22H26N2O3S/c1-16-14-20(27-4)17(2)18(3)21(16)28(25,26)24-12-10-22(15-23,11-13-24)19-8-6-5-7-9-19/h5-9,14H,10-13H2,1-4H3