N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-4-methylsulfonyl-benzamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-4-methylsulfonyl-benzamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiazol-2-yl]-4-methylsulfonyl-benzamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-thiazolyl]-4-methylsulfonylbenzamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide Traditional Name: 4-mesyl-N-(4-methyl-5-piperonyl-thiazol-2-yl)benzamide Formula: C20H18N2O5S2 MolecularWeight: 430.49732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)C)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)C)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H18N2O5S2/c1-12-18(10-13-3-8-16-17(9-13)27-11-26-16)28-20(21-12)22-19(23)14-4-6-15(7-5-14)29(2,24)25/h3-9H,10-11H2,1-2H3,(H,21,22,23)