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

Systemtic Name: [4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(5-isopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[oxo-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]methyl]phenyl] ester IUPAC Name: [4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(5-isopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] ester Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S2/c1-12(2)19-22-23-20(28-19)21-18(24)15-7-9-16(10-8-15)27-29(25,26)17-11-13(3)5-6-14(17)4/h5-12H,1-4H3,(H,21,23,24)