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

Systemtic Name: N-[5-[2-(4-methoxyphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitro-benzamide Openeye Name: N-[5-[2-(4-methoxyphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitro-benzamide CAS Name: N-[5-[2-(4-methoxyphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[5-[2-(4-methoxyphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitrobenzamide Traditional Name: N-[5-[2-(4-methoxyphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitro-benzamide Formula: C19H18N4O6S2 MolecularWeight: 462.49942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)CCS(=O)(=O)C3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)CCS(=O)(=O)C3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O6S2/c1-12-3-4-13(11-16(12)23(25)26)18(24)20-19-22-21-17(30-19)9-10-31(27,28)15-7-5-14(29-2)6-8-15/h3-8,11H,9-10H2,1-2H3,(H,20,22,24)