N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-(p-tolylsulfonylamino)pentanamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-(tosylamino)valeramide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)NC2=CC3=C(C=C2)OCCO3

InChI

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