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

Systemtic Name: [4,5,7-trimethyl-2-[(4-sulfamoylphenyl)methylamino]-1,3-benzothiazol-6-yl] 4-methylbenzoate Openeye Name: [4,5,7-trimethyl-2-[(4-sulfamoylphenyl)methylamino]-1,3-benzothiazol-6-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic 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] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4,5,7-trimethyl-2-[(4-sulfamoylbenzyl)amino]-1,3-benzothiazol-6-yl] ester Formula: C25H25N3O4S2 MolecularWeight: 495.6137

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C3=C(C(=C2C)C)N=C(S3)NCC4=CC=C(C=C4)S(=O)(=O)N)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C3=C(C(=C2C)C)N=C(S3)NCC4=CC=C(C=C4)S(=O)(=O)N)C

InChI

InChI=1S/C25H25N3O4S2/c1-14-5-9-19(10-6-14)24(29)32-22-16(3)15(2)21-23(17(22)4)33-25(28-21)27-13-18-7-11-20(12-8-18)34(26,30)31/h5-12H,13H2,1-4H3,(H,27,28)(H2,26,30,31)