[4-(1,3,4-thiadiazol-2-ylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-(1,3,4-thiadiazol-2-ylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-(1,3,4-thiadiazol-2-ylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[oxo-(1,3,4-thiadiazol-2-ylamino)methyl]phenyl] ester IUPAC Name: [4-(1,3,4-thiadiazol-2-ylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-(1,3,4-thiadiazol-2-ylcarbamoyl)phenyl] ester Formula: C17H15N3O4S2 MolecularWeight: 389.4487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=NN=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=NN=CS3

InChI

InChI=1S/C17H15N3O4S2/c1-11-3-4-12(2)15(9-11)26(22,23)24-14-7-5-13(6-8-14)16(21)19-17-20-18-10-25-17/h3-10H,1-2H3,(H,19,20,21)