N-butyl-2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-(phenylmethyl)amino]ethanamide

Systemtic Name: N-butyl-2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-(phenylmethyl)amino]ethanamide Openeye Name: 2-[benzyl(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-N-butyl-acetamide CAS Name: N-butyl-2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-(phenylmethyl)amino]acetamide IUPAC Name: 2-[benzyl(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-N-butylacetamide Traditional Name: 2-[benzyl(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-N-butyl-acetamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCCCNC(=O)CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H26N2O5S/c1-2-3-11-22-21(24)16-23(15-17-7-5-4-6-8-17)29(25,26)18-9-10-19-20(14-18)28-13-12-27-19/h4-10,14H,2-3,11-13,15-16H2,1H3,(H,22,24)