N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-[(3,4-dimethylphenyl)sulfonylamino]butanamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-[(3,4-dimethylphenyl)sulfonylamino]butanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-[(3,4-dimethylphenyl)sulfonylamino]butanamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-[(3,4-dimethylphenyl)sulfonylamino]butanamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-[(3,4-dimethylphenyl)sulfonylamino]butanamide Traditional Name: 4-[(3,4-dimethylphenyl)sulfonylamino]-N-homopiperonyl-butyramide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCCC(=O)NCCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCCC(=O)NCCC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C21H26N2O5S/c1-15-5-7-18(12-16(15)2)29(25,26)23-10-3-4-21(24)22-11-9-17-6-8-19-20(13-17)28-14-27-19/h5-8,12-13,23H,3-4,9-11,14H2,1-2H3,(H,22,24)