N-(1,3-benzodioxol-5-yl)-1-[(2R)-1-oxidanylidene-1-(2-thiophen-2-ylethylamino)propan-2-yl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(2R)-1-oxidanylidene-1-(2-thiophen-2-ylethylamino)propan-2-yl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(1R)-1-methyl-2-oxo-2-[2-(2-thienyl)ethylamino]ethyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(2R)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(2R)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(1R)-2-keto-1-methyl-2-[2-(2-thienyl)ethylamino]ethyl]isonipecotamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CS1)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@H](C(=O)NCCC1=CC=CS1)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H27N3O4S/c1-15(21(26)23-9-6-18-3-2-12-30-18)25-10-7-16(8-11-25)22(27)24-17-4-5-19-20(13-17)29-14-28-19/h2-5,12-13,15-16H,6-11,14H2,1H3,(H,23,26)(H,24,27)/t15-/m1/s1