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

Systemtic Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(phenethyl)amino]-N-propan-2-yl-ethanamide Openeye Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(phenethyl)amino]-N-isopropyl-acetamide CAS Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(phenethyl)amino]-N-propan-2-ylacetamide IUPAC Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(phenethyl)amino]-N-propan-2-ylacetamide Traditional Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(phenethyl)amino]-N-isopropyl-acetamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CN(CCC1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)NC(=O)CN(CCC1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H26N2O5S/c1-16(2)22-21(24)15-23(11-10-17-6-4-3-5-7-17)29(25,26)18-8-9-19-20(14-18)28-13-12-27-19/h3-9,14,16H,10-13,15H2,1-2H3,(H,22,24)