N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2-thienylsulfonyl)nipecotamide Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NCC3COC4=CC=CC=C4O3

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NCC3COC4=CC=CC=C4O3

InChI

InChI=1S/C19H22N2O5S2/c22-19(20-11-15-13-25-16-6-1-2-7-17(16)26-15)14-5-3-9-21(12-14)28(23,24)18-8-4-10-27-18/h1-2,4,6-8,10,14-15H,3,5,9,11-13H2,(H,20,22)