phenyl 4-cyano-4-(2-phenylsulfanylphenyl)piperidine-1-carboxylate

Systemtic Name: phenyl 4-cyano-4-(2-phenylsulfanylphenyl)piperidine-1-carboxylate Openeye Name: phenyl 4-cyano-4-(2-phenylsulfanylphenyl)piperidine-1-carboxylate CAS Name: 4-cyano-4-[2-(phenylthio)phenyl]-1-piperidinecarboxylic acid phenyl ester IUPAC Name: phenyl 4-cyano-4-(2-phenylsulfanylphenyl)piperidine-1-carboxylate Traditional Name: 4-cyano-4-[2-(phenylthio)phenyl]piperidine-1-carboxylic acid phenyl ester Formula: C25H22N2O2S MolecularWeight: 414.51938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C#N)C2=CC=CC=C2SC3=CC=CC=C3)C(=O)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1(C#N)C2=CC=CC=C2SC3=CC=CC=C3)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C25H22N2O2S/c26-19-25(22-13-7-8-14-23(22)30-21-11-5-2-6-12-21)15-17-27(18-16-25)24(28)29-20-9-3-1-4-10-20/h1-14H,15-18H2