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

Systemtic Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[(2,5-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-butanamide Openeye Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[(2,5-dimethylphenyl)sulfonylamino]-4-methylsulfanyl-butanamide CAS Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[(2,5-dimethylphenyl)sulfonylamino]-4-(methylthio)butanamide IUPAC Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[(2,5-dimethylphenyl)sulfonylamino]-4-methylsulfanylbutanamide Traditional Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[(2,5-dimethylphenyl)sulfonylamino]-4-(methylthio)butyramide Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5S2/c1-14-5-6-15(2)21(11-14)31(26,27)24-18(9-10-30-4)22(25)23-16(3)17-7-8-19-20(12-17)29-13-28-19/h5-8,11-12,16,18,24H,9-10,13H2,1-4H3,(H,23,25)