1,3-benzodioxol-5-yl-[(3S)-1-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbonyl]piperidin-3-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbonyl]piperidin-3-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[(3S)-1-[5-(2-thienyl)-1H-pyrazole-3-carbonyl]-3-piperidyl]methanone CAS Name: 1,3-benzodioxol-5-yl-[(3S)-1-[oxo-(5-thiophen-2-yl-1H-pyrazol-3-yl)methyl]-3-piperidinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[(3S)-1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-1-[5-(2-thienyl)-1H-pyrazole-3-carbonyl]-3-piperidyl]methanone Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=NNC(=C2)C3=CC=CS3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=NNC(=C2)C3=CC=CS3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H19N3O4S/c25-20(13-5-6-17-18(9-13)28-12-27-17)14-3-1-7-24(11-14)21(26)16-10-15(22-23-16)19-4-2-8-29-19/h2,4-6,8-10,14H,1,3,7,11-12H2,(H,22,23)/t14-/m0/s1