1-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)piperidine-3-carboxamide

Systemtic Name: 1-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)piperidine-3-carboxamide Openeye Name: 1-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)piperidine-3-carboxamide CAS Name: 1-(1-azepanylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-3-piperidinecarboxamide IUPAC Name: 1-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)piperidine-3-carboxamide Traditional Name: 1-(azepan-1-ylsulfonyl)-N-piperonyl-nipecotamide Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H29N3O5S/c24-20(21-13-16-7-8-18-19(12-16)28-15-27-18)17-6-5-11-23(14-17)29(25,26)22-9-3-1-2-4-10-22/h7-8,12,17H,1-6,9-11,13-15H2,(H,21,24)