(2-phenylazanyl-1,3-thiazol-4-yl)methyl 4-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoate

Systemtic Name: (2-phenylazanyl-1,3-thiazol-4-yl)methyl 4-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoate Openeye Name: (2-anilinothiazol-4-yl)methyl 4-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoate CAS Name: 4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoic acid (2-anilino-4-thiazolyl)methyl ester IUPAC Name: (2-anilino-1,3-thiazol-4-yl)methyl 4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoate Traditional Name: 4-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoic acid (2-anilinothiazol-4-yl)methyl ester Formula: C28H29N3O4S2 MolecularWeight: 535.67756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC3=CSC(=N3)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC3=CSC(=N3)NC4=CC=CC=C4

InChI

InChI=1S/C28H29N3O4S2/c1-19-10-13-21(28(2,3)4)16-25(19)37(33,34)31-23-14-11-20(12-15-23)26(32)35-17-24-18-36-27(30-24)29-22-8-6-5-7-9-22/h5-16,18,31H,17H2,1-4H3,(H,29,30)