N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-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)NCC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NCC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C19H22N2O5S2/c22-19(20-12-14-5-6-16-17(11-14)26-9-8-25-16)15-3-1-7-21(13-15)28(23,24)18-4-2-10-27-18/h2,4-6,10-11,15H,1,3,7-9,12-13H2,(H,20,22)