(3S)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-1-thiophen-2-ylcarbonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-1-thiophen-2-ylcarbonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide CAS Name: (3S)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-1-[oxo(thiophen-2-yl)methyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide Traditional Name: (3S)-N-ethyl-N-piperonyl-1-(2-thenoyl)nipecotamide Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)C3CCCN(C3)C(=O)C4=CC=CS4

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)[C@H]3CCCN(C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H24N2O4S/c1-2-22(12-15-7-8-17-18(11-15)27-14-26-17)20(24)16-5-3-9-23(13-16)21(25)19-6-4-10-28-19/h4,6-8,10-11,16H,2-3,5,9,12-14H2,1H3/t16-/m0/s1