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

Systemtic Name: (2-morpholin-4-yl-1,3-benzothiazol-6-yl) 4-[ethyl-(phenylmethyl)sulfamoyl]benzoate Openeye Name: (2-morpholino-1,3-benzothiazol-6-yl) 4-[benzyl(ethyl)sulfamoyl]benzoate CAS Name: 4-[ethyl-(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(ethyl)sulfamoyl]benzoate Traditional Name: 4-[benzyl(ethyl)sulfamoyl]benzoic acid (2-morpholino-1,3-benzothiazol-6-yl) ester Formula: C27H27N3O5S2 MolecularWeight: 537.65038

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Descriptors Computed from Structure

Canonical SMILES:

CCN(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

CCN(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/C27H27N3O5S2/c1-2-30(19-20-6-4-3-5-7-20)37(32,33)23-11-8-21(9-12-23)26(31)35-22-10-13-24-25(18-22)36-27(28-24)29-14-16-34-17-15-29/h3-13,18H,2,14-17,19H2,1H3