[4-[(6-ethyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[(6-ethyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(6-ethyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[[(6-ethyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(6-ethyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(6-ethyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl] ester Formula: C24H22N2O4S2 MolecularWeight: 466.57248

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=C(C=CC(=C4)C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=C(C=CC(=C4)C)C

InChI

InChI=1S/C24H22N2O4S2/c1-4-17-7-12-20-21(14-17)31-24(25-20)26-23(27)18-8-10-19(11-9-18)30-32(28,29)22-13-15(2)5-6-16(22)3/h5-14H,4H2,1-3H3,(H,25,26,27)