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

Systemtic Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] 4-[ethyl-(phenylmethyl)sulfamoyl]benzoate Openeye Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] 4-[benzyl(ethyl)sulfamoyl]benzoate CAS Name: 4-[ethyl-(phenylmethyl)sulfamoyl]benzoic acid [2-(diethylamino)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] 4-[benzyl(ethyl)sulfamoyl]benzoate Traditional Name: 4-[benzyl(ethyl)sulfamoyl]benzoic acid [2-(diethylamino)-1,3-benzothiazol-6-yl] ester Formula: C27H29N3O4S2 MolecularWeight: 523.66686

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC2=C(S1)C=C(C=C2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CC)CC4=CC=CC=C4

Isomeric SMILES

CCN(CC)C1=NC2=C(S1)C=C(C=C2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CC)CC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O4S2/c1-4-29(5-2)27-28-24-17-14-22(18-25(24)35-27)34-26(31)21-12-15-23(16-13-21)36(32,33)30(6-3)19-20-10-8-7-9-11-20/h7-18H,4-6,19H2,1-3H3