1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(5-methylhexan-2-yl)piperidine-4-carboxamide

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(5-methylhexan-2-yl)piperidine-4-carboxamide Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(1,4-dimethylpentyl)piperidine-4-carboxamide CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(5-methylhexan-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(5-methylhexan-2-yl)piperidine-4-carboxamide Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(1,4-dimethylpentyl)isonipecotamide Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)CCC(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H32N2O5S/c1-15(2)4-5-16(3)22-21(24)17-8-10-23(11-9-17)29(25,26)18-6-7-19-20(14-18)28-13-12-27-19/h6-7,14-17H,4-5,8-13H2,1-3H3,(H,22,24)