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

Systemtic Name: N-[5-[2-(3,4-dimethylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-methyl-benzamide Openeye Name: N-[5-[2-(3,4-dimethylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-methyl-benzamide CAS Name: N-[5-[2-(3,4-dimethylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzamide IUPAC Name: N-[5-[2-(3,4-dimethylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzamide Traditional Name: N-[5-[2-(3,4-dimethylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-methyl-benzamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)CCS(=O)(=O)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)CCS(=O)(=O)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C20H21N3O3S2/c1-13-4-7-16(8-5-13)19(24)21-20-23-22-18(27-20)10-11-28(25,26)17-9-6-14(2)15(3)12-17/h4-9,12H,10-11H2,1-3H3,(H,21,23,24)