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

Systemtic Name: N-(4-butylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide Openeye Name: N-(4-butylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide CAS Name: N-(4-butylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide IUPAC Name: N-(4-butylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide Traditional Name: N-(4-butylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propionamide Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H25NO5S/c1-2-3-4-16-5-7-17(8-6-16)22-21(23)11-14-28(24,25)18-9-10-19-20(15-18)27-13-12-26-19/h5-10,15H,2-4,11-14H2,1H3,(H,22,23)