(2-phenylazanyl-1,3-thiazol-4-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxy-benzoate

Systemtic Name: (2-phenylazanyl-1,3-thiazol-4-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxy-benzoate Openeye Name: (2-anilinothiazol-4-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxy-benzoate CAS Name: 3-(cyclopropylsulfamoyl)-4-methoxybenzoic acid (2-anilino-4-thiazolyl)methyl ester IUPAC Name: (2-anilino-1,3-thiazol-4-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate Traditional Name: 3-(cyclopropylsulfamoyl)-4-methoxy-benzoic acid (2-anilinothiazol-4-yl)methyl ester Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CSC(=N2)NC3=CC=CC=C3)S(=O)(=O)NC4CC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CSC(=N2)NC3=CC=CC=C3)S(=O)(=O)NC4CC4

InChI

InChI=1S/C21H21N3O5S2/c1-28-18-10-7-14(11-19(18)31(26,27)24-16-8-9-16)20(25)29-12-17-13-30-21(23-17)22-15-5-3-2-4-6-15/h2-7,10-11,13,16,24H,8-9,12H2,1H3,(H,22,23)