[4-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] ester Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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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=C(S3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=NN=C(S3)C

InChI

InChI=1S/C18H17N3O4S2/c1-11-4-5-12(2)16(10-11)27(23,24)25-15-8-6-14(7-9-15)17(22)19-18-21-20-13(3)26-18/h4-10H,1-3H3,(H,19,21,22)