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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(3-chlorobenzothiophene-2-carbonyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(3-chloro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(3-chlorobenzothiophene-2-carbonyl)isonipecotamide Formula: C22H19ClN2O4S MolecularWeight: 442.91526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C22H19ClN2O4S/c23-19-15-3-1-2-4-18(15)30-20(19)22(27)25-9-7-13(8-10-25)21(26)24-14-5-6-16-17(11-14)29-12-28-16/h1-6,11,13H,7-10,12H2,(H,24,26)