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

Systemtic Name: [2-(4-ethylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-[methyl-(phenylmethyl)sulfamoyl]benzoate Openeye Name: [2-(4-ethylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-[benzyl(methyl)sulfamoyl]benzoate CAS Name: 4-[methyl-(phenylmethyl)sulfamoyl]benzoic acid [2-(4-ethyl-1-piperazinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(4-ethylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-[benzyl(methyl)sulfamoyl]benzoate Traditional Name: 4-[benzyl(methyl)sulfamoyl]benzoic acid [2-(4-ethylpiperazino)-1,3-benzothiazol-6-yl] ester Formula: C28H30N4O4S2 MolecularWeight: 550.6922

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)S(=O)(=O)N(C)CC5=CC=CC=C5

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)S(=O)(=O)N(C)CC5=CC=CC=C5

InChI

InChI=1S/C28H30N4O4S2/c1-3-31-15-17-32(18-16-31)28-29-25-14-11-23(19-26(25)37-28)36-27(33)22-9-12-24(13-10-22)38(34,35)30(2)20-21-7-5-4-6-8-21/h4-14,19H,3,15-18,20H2,1-2H3