1-(3-acetamido-3-thiophen-2-yl-propanoyl)-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide

Systemtic Name: 1-(3-acetamido-3-thiophen-2-yl-propanoyl)-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide Openeye Name: 1-[3-acetamido-3-(2-thienyl)propanoyl]-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide CAS Name: 1-(3-acetamido-1-oxo-3-thiophen-2-ylpropyl)-N-(1,3-benzodioxol-5-yl)-4-piperidinecarboxamide IUPAC Name: 1-(3-acetamido-3-thiophen-2-ylpropanoyl)-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide Traditional Name: 1-[3-acetamido-3-(2-thienyl)propanoyl]-N-(1,3-benzodioxol-5-yl)isonipecotamide Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)N1CCC(CC1)C(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=CS4

Isomeric SMILES

CC(=O)NC(CC(=O)N1CCC(CC1)C(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=CS4

InChI

InChI=1S/C22H25N3O5S/c1-14(26)23-17(20-3-2-10-31-20)12-21(27)25-8-6-15(7-9-25)22(28)24-16-4-5-18-19(11-16)30-13-29-18/h2-5,10-11,15,17H,6-9,12-13H2,1H3,(H,23,26)(H,24,28)