N-(1,3-benzodioxol-5-yl)-1-[2-[(4-cyanophenyl)methylsulfanyl]phenyl]carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[2-[(4-cyanophenyl)methylsulfanyl]phenyl]carbonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[2-[(4-cyanophenyl)methylsulfanyl]benzoyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[[2-[(4-cyanophenyl)methylthio]phenyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[2-[(4-cyanophenyl)methylsulfanyl]benzoyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[2-[(4-cyanobenzyl)thio]benzoyl]isonipecotamide Formula: C28H25N3O4S MolecularWeight: 499.5808

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4SCC5=CC=C(C=C5)C#N

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4SCC5=CC=C(C=C5)C#N

InChI

InChI=1S/C28H25N3O4S/c29-16-19-5-7-20(8-6-19)17-36-26-4-2-1-3-23(26)28(33)31-13-11-21(12-14-31)27(32)30-22-9-10-24-25(15-22)35-18-34-24/h1-10,15,21H,11-14,17-18H2,(H,30,32)