(2S)-2-(1,3-benzodioxol-5-ylmethylamino)-N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]propanamide

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-ylmethylamino)-N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]propanamide Openeye Name: (2S)-2-(1,3-benzodioxol-5-ylmethylamino)-N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]propanamide CAS Name: (2S)-2-(1,3-benzodioxol-5-ylmethylamino)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide IUPAC Name: (2S)-2-(1,3-benzodioxol-5-ylmethylamino)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide Traditional Name: (2S)-N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-2-(piperonylamino)propionamide Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)[C@H](C)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H25N3O5S/c1-13-5-7-16(29(25,26)23(3)4)10-17(13)22-20(24)14(2)21-11-15-6-8-18-19(9-15)28-12-27-18/h5-10,14,21H,11-12H2,1-4H3,(H,22,24)/t14-/m0/s1