4-[2-[5-methyl-2-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazol-3-yl]ethanoylamino]benzoate

Systemtic Name: 4-[2-[5-methyl-2-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazol-3-yl]ethanoylamino]benzoate Openeye Name: 4-[[2-[5-methyl-2-(p-tolylsulfonylimino)-1,3,4-thiadiazol-3-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[5-methyl-2-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazol-3-yl]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-[5-methyl-2-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazol-3-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-(5-methyl-2-tosylimino-1,3,4-thiadiazol-3-yl)acetyl]amino]benzoate Formula: C19H17N4O5S2- MolecularWeight: 445.49208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C2N(N=C(S2)C)CC(=O)NC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N=C2N(N=C(S2)C)CC(=O)NC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C19H18N4O5S2/c1-12-3-9-16(10-4-12)30(27,28)22-19-23(21-13(2)29-19)11-17(24)20-15-7-5-14(6-8-15)18(25)26/h3-10H,11H2,1-2H3,(H,20,24)(H,25,26)/p-1