N-(1,3-benzodioxol-5-yl)-1-[4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[4-(5-chloro-2-thienyl)-4-oxo-butanoyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[4-(5-chloro-2-thiophenyl)-1,4-dioxobutyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[4-(5-chloro-2-thienyl)-4-keto-butanoyl]isonipecotamide Formula: C21H21ClN2O5S MolecularWeight: 448.91984

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)CCC(=O)C4=CC=C(S4)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)CCC(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C21H21ClN2O5S/c22-19-5-4-18(30-19)15(25)2-6-20(26)24-9-7-13(8-10-24)21(27)23-14-1-3-16-17(11-14)29-12-28-16/h1,3-5,11,13H,2,6-10,12H2,(H,23,27)