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

Systemtic Name: [2-(4-ethylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-[ethyl-(phenylmethyl)sulfamoyl]benzoate Openeye Name: [2-(4-ethylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-[benzyl(ethyl)sulfamoyl]benzoate CAS Name: 4-[ethyl-(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(ethyl)sulfamoyl]benzoate Traditional Name: 4-[benzyl(ethyl)sulfamoyl]benzoic acid [2-(4-ethylpiperazino)-1,3-benzothiazol-6-yl] ester Formula: C29H32N4O4S2 MolecularWeight: 564.71878

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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(CC)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(CC)CC5=CC=CC=C5

InChI

InChI=1S/C29H32N4O4S2/c1-3-31-16-18-32(19-17-31)29-30-26-15-12-24(20-27(26)38-29)37-28(34)23-10-13-25(14-11-23)39(35,36)33(4-2)21-22-8-6-5-7-9-22/h5-15,20H,3-4,16-19,21H2,1-2H3