3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(4-pentylphenyl)propanamide

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(4-pentylphenyl)propanamide Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(4-pentylphenyl)propanamide CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(4-pentylphenyl)propanamide IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(4-pentylphenyl)propanamide Traditional Name: N-(4-amylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propionamide Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C22H27NO5S/c1-2-3-4-5-17-6-8-18(9-7-17)23-22(24)12-15-29(25,26)19-10-11-20-21(16-19)28-14-13-27-20/h6-11,16H,2-5,12-15H2,1H3,(H,23,24)