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

Systemtic Name: N-[5-[2-(3,4-dimethylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitro-benzamide Openeye Name: N-[5-[2-(3,4-dimethylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitro-benzamide CAS Name: N-[5-[2-(3,4-dimethylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[5-[2-(3,4-dimethylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitrobenzamide Traditional Name: N-[5-[2-(3,4-dimethylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitro-benzamide Formula: C20H20N4O5S2 MolecularWeight: 460.5266

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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(=C(C=C3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)CCC2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H20N4O5S2/c1-12-5-7-16(10-14(12)3)31(28,29)9-8-18-22-23-20(30-18)21-19(25)15-6-4-13(2)17(11-15)24(26)27/h4-7,10-11H,8-9H2,1-3H3,(H,21,23,25)