N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(p-tolylsulfonylamino)pentanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide Traditional Name: 4-methyl-N-piperonyl-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)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

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