[4,5,7-trimethyl-2-[(4-sulfamoylphenyl)methylamino]-1,3-benzothiazol-6-yl] 2,2-dimethylpropanoate

Systemtic Name: [4,5,7-trimethyl-2-[(4-sulfamoylphenyl)methylamino]-1,3-benzothiazol-6-yl] 2,2-dimethylpropanoate Openeye Name: [4,5,7-trimethyl-2-[(4-sulfamoylphenyl)methylamino]-1,3-benzothiazol-6-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4,5,7-trimethyl-2-[(4-sulfamoylphenyl)methylamino]-1,3-benzothiazol-6-yl] ester IUPAC Name: [4,5,7-trimethyl-2-[(4-sulfamoylphenyl)methylamino]-1,3-benzothiazol-6-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4,5,7-trimethyl-2-[(4-sulfamoylbenzyl)amino]-1,3-benzothiazol-6-yl] ester Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1N=C(S2)NCC3=CC=C(C=C3)S(=O)(=O)N)C)OC(=O)C(C)(C)C)C

Isomeric SMILES

CC1=C(C(=C(C2=C1N=C(S2)NCC3=CC=C(C=C3)S(=O)(=O)N)C)OC(=O)C(C)(C)C)C

InChI

InChI=1S/C22H27N3O4S2/c1-12-13(2)18(29-20(26)22(4,5)6)14(3)19-17(12)25-21(30-19)24-11-15-7-9-16(10-8-15)31(23,27)28/h7-10H,11H2,1-6H3,(H,24,25)(H2,23,27,28)