N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(1H-imidazol-5-ylsulfonyl)-3-piperidinecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(1H-imidazol-5-ylsulfonyl)nipecotamide Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CN=CN2)C(=O)NCC3COC4=CC=CC=C4O3

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CN=CN2)C(=O)NCC3COC4=CC=CC=C4O3

InChI

InChI=1S/C18H22N4O5S/c23-18(20-8-14-11-26-15-5-1-2-6-16(15)27-14)13-4-3-7-22(10-13)28(24,25)17-9-19-12-21-17/h1-2,5-6,9,12-14H,3-4,7-8,10-11H2,(H,19,21)(H,20,23)