[2-(5-acetamido-3-ethanoyl-2H-1,3,4-thiadiazol-2-yl)-4-methyl-phenyl] benzenesulfonate

Systemtic Name: [2-(5-acetamido-3-ethanoyl-2H-1,3,4-thiadiazol-2-yl)-4-methyl-phenyl] benzenesulfonate Openeye Name: [2-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)-4-methyl-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)-4-methylphenyl] ester IUPAC Name: [2-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)-4-methylphenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)-4-methyl-phenyl] ester Formula: C19H19N3O5S2 MolecularWeight: 433.50126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)C3N(N=C(S3)NC(=O)C)C(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)C3N(N=C(S3)NC(=O)C)C(=O)C

InChI

InChI=1S/C19H19N3O5S2/c1-12-9-10-17(27-29(25,26)15-7-5-4-6-8-15)16(11-12)18-22(14(3)24)21-19(28-18)20-13(2)23/h4-11,18H,1-3H3,(H,20,21,23)