(2-morpholin-4-yl-1,3-benzothiazol-6-yl) 4-[methyl-(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: (2-morpholin-4-yl-1,3-benzothiazol-6-yl) 4-[methyl-(phenylmethyl)sulfamoyl]benzoate Openeye Name: (2-morpholino-1,3-benzothiazol-6-yl) 4-[benzyl(methyl)sulfamoyl]benzoate CAS Name: 4-[methyl-(phenylmethyl)sulfamoyl]benzoic acid [2-(4-morpholinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-morpholin-4-yl-1,3-benzothiazol-6-yl) 4-[benzyl(methyl)sulfamoyl]benzoate Traditional Name: 4-[benzyl(methyl)sulfamoyl]benzoic acid (2-morpholino-1,3-benzothiazol-6-yl) ester Formula: C26H25N3O5S2 MolecularWeight: 523.6238

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)N=C(S4)N5CCOCC5

Isomeric SMILES

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)N=C(S4)N5CCOCC5

InChI

InChI=1S/C26H25N3O5S2/c1-28(18-19-5-3-2-4-6-19)36(31,32)22-10-7-20(8-11-22)25(30)34-21-9-12-23-24(17-21)35-26(27-23)29-13-15-33-16-14-29/h2-12,17H,13-16,18H2,1H3