N-[4-(1,3-benzodioxol-5-ylmethyl)-1-methyl-imidazol-2-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-1-methyl-imidazol-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-1-methyl-imidazol-2-yl]-4-methyl-benzenesulfonamide CAS Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-1-methyl-2-imidazolyl]-4-methylbenzenesulfonamide IUPAC Name: N-[4-(1,3-benzodioxol-5-ylmethyl)-1-methylimidazol-2-yl]-4-methylbenzenesulfonamide Traditional Name: 4-methyl-N-(1-methyl-4-piperonyl-imidazol-2-yl)benzenesulfonamide Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CN2C)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CN2C)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H19N3O4S/c1-13-3-6-16(7-4-13)27(23,24)21-19-20-15(11-22(19)2)9-14-5-8-17-18(10-14)26-12-25-17/h3-8,10-11H,9,12H2,1-2H3,(H,20,21)