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

Systemtic Name: 4-[2-[2-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazol-3-yl]ethanoylamino]benzoate Openeye Name: 4-[[2-[2-(p-tolylsulfonylimino)-1,3,4-thiadiazol-3-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[2-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazol-3-yl]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-[2-(4-methylphenyl)sulfonylimino-1,3,4-thiadiazol-3-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-(2-tosylimino-1,3,4-thiadiazol-3-yl)acetyl]amino]benzoate Formula: C18H15N4O5S2- MolecularWeight: 431.4655

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C2N(N=CS2)CC(=O)NC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N=C2N(N=CS2)CC(=O)NC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C18H16N4O5S2/c1-12-2-8-15(9-3-12)29(26,27)21-18-22(19-11-28-18)10-16(23)20-14-6-4-13(5-7-14)17(24)25/h2-9,11H,10H2,1H3,(H,20,23)(H,24,25)/p-1