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

Systemtic Name: 1-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-4-carboxamide CAS Name: 1-(1-azepanylsulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)isonipecotamide Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3COC4=CC=CC=C4O3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H31N3O5S/c25-21(22-15-18-16-28-19-7-3-4-8-20(19)29-18)17-9-13-24(14-10-17)30(26,27)23-11-5-1-2-6-12-23/h3-4,7-8,17-18H,1-2,5-6,9-16H2,(H,22,25)