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

Systemtic Name: N-[5-[2-(3,4-dimethylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-3-methoxy-benzamide Openeye Name: N-[5-[2-(3,4-dimethylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-3-methoxy-benzamide CAS Name: N-[5-[2-(3,4-dimethylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-3-methoxybenzamide IUPAC Name: N-[5-[2-(3,4-dimethylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-3-methoxybenzamide Traditional Name: N-[5-[2-(3,4-dimethylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-3-methoxy-benzamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)CCC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)CCC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)OC)C

InChI

InChI=1S/C20H21N3O4S2/c1-13-7-8-17(11-14(13)2)29(25,26)10-9-18-22-23-20(28-18)21-19(24)15-5-4-6-16(12-15)27-3/h4-8,11-12H,9-10H2,1-3H3,(H,21,23,24)