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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methylsulfanyl-2-(p-tolylsulfonylamino)butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)butanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide Traditional Name: 4-(methylthio)-N-piperonyl-2-(tosylamino)butyramide Formula: C20H24N2O5S2 MolecularWeight: 436.54496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O5S2/c1-14-3-6-16(7-4-14)29(24,25)22-17(9-10-28-2)20(23)21-12-15-5-8-18-19(11-15)27-13-26-18/h3-8,11,17,22H,9-10,12-13H2,1-2H3,(H,21,23)