N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)sulfonyl-propanamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)sulfonyl-propanamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiazol-2-yl]-3-(4-chlorophenyl)sulfonyl-propanamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-thiazolyl]-3-(4-chlorophenyl)sulfonylpropanamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)sulfonylpropanamide Traditional Name: 3-(4-chlorophenyl)sulfonyl-N-(4-methyl-5-piperonyl-thiazol-2-yl)propionamide Formula: C21H19ClN2O5S2 MolecularWeight: 478.96896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O5S2/c1-13-19(11-14-2-7-17-18(10-14)29-12-28-17)30-21(23-13)24-20(25)8-9-31(26,27)16-5-3-15(22)4-6-16/h2-7,10H,8-9,11-12H2,1H3,(H,23,24,25)