N-[5-[2-(4-bromophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[5-[2-(4-bromophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[5-[2-(4-bromophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxy-benzamide CAS Name: N-[5-[2-(4-bromophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide IUPAC Name: N-[5-[2-(4-bromophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide Traditional Name: N-[5-(2-brosylethyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethoxy-benzamide Formula: C19H18BrN3O5S2 MolecularWeight: 512.39732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)CCS(=O)(=O)C3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)CCS(=O)(=O)C3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C19H18BrN3O5S2/c1-27-15-8-3-12(11-16(15)28-2)18(24)21-19-23-22-17(29-19)9-10-30(25,26)14-6-4-13(20)5-7-14/h3-8,11H,9-10H2,1-2H3,(H,21,23,24)