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

Systemtic Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(3-methylbutyl)amino]-N-phenethyl-ethanamide Openeye Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(isopentyl)amino]-N-phenethyl-acetamide CAS Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(3-methylbutyl)amino]-N-phenethylacetamide IUPAC Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(3-methylbutyl)amino]-N-phenethylacetamide Traditional Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(isoamyl)amino]-N-phenethyl-acetamide Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC(=O)NCCC1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)CCN(CC(=O)NCCC1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C23H30N2O5S/c1-18(2)11-13-25(17-23(26)24-12-10-19-6-4-3-5-7-19)31(27,28)20-8-9-21-22(16-20)30-15-14-29-21/h3-9,16,18H,10-15,17H2,1-2H3,(H,24,26)