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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[2-(2-cyanophenyl)sulfanylphenyl]carbonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[2-(2-cyanophenyl)sulfanylbenzoyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[[2-[(2-cyanophenyl)thio]phenyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[2-(2-cyanophenyl)sulfanylbenzoyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[2-[(2-cyanophenyl)thio]benzoyl]isonipecotamide Formula: C27H23N3O4S MolecularWeight: 485.55422

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4SC5=CC=CC=C5C#N

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4SC5=CC=CC=C5C#N

InChI

InChI=1S/C27H23N3O4S/c28-16-19-5-1-3-7-24(19)35-25-8-4-2-6-21(25)27(32)30-13-11-18(12-14-30)26(31)29-20-9-10-22-23(15-20)34-17-33-22/h1-10,15,18H,11-14,17H2,(H,29,31)