N-(1,3-benzodioxol-5-ylmethyl)-4-[methyl-(4-methylphenyl)sulfonyl-amino]butanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[methyl-(4-methylphenyl)sulfonyl-amino]butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[methyl(p-tolylsulfonyl)amino]butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide Traditional Name: 4-[methyl(tosyl)amino]-N-piperonyl-butyramide Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O5S/c1-15-5-8-17(9-6-15)28(24,25)22(2)11-3-4-20(23)21-13-16-7-10-18-19(12-16)27-14-26-18/h5-10,12H,3-4,11,13-14H2,1-2H3,(H,21,23)