N-(1,3-benzodioxol-5-yl)-1-(3-pyrrol-1-ylthiophen-2-yl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(3-pyrrol-1-ylthiophen-2-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[oxo-[3-(1-pyrrolyl)-2-thiophenyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(3-pyrrol-1-ylthiophene-2-carbonyl)isonipecotamide Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C=CS4)N5C=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C=CS4)N5C=CC=C5

InChI

InChI=1S/C22H21N3O4S/c26-21(23-16-3-4-18-19(13-16)29-14-28-18)15-5-10-25(11-6-15)22(27)20-17(7-12-30-20)24-8-1-2-9-24/h1-4,7-9,12-13,15H,5-6,10-11,14H2,(H,23,26)