[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-[bis(2-methylpropyl)sulfamoyl]benzoate

Systemtic Name: [2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-[bis(2-methylpropyl)sulfamoyl]benzoate Openeye Name: [2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-(diisobutylsulfamoyl)benzoate CAS Name: 4-[bis(2-methylpropyl)sulfamoyl]benzoic acid [2-(4-methyl-1-piperazinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-[bis(2-methylpropyl)sulfamoyl]benzoate Traditional Name: 4-(diisobutylsulfamoyl)benzoic acid [2-(4-methylpiperazino)-1,3-benzothiazol-6-yl] ester Formula: C27H36N4O4S2 MolecularWeight: 544.72914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)S(=O)(=O)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)N=C(S3)N4CCN(CC4)C

Isomeric SMILES

CC(C)CN(CC(C)C)S(=O)(=O)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)N=C(S3)N4CCN(CC4)C

InChI

InChI=1S/C27H36N4O4S2/c1-19(2)17-31(18-20(3)4)37(33,34)23-9-6-21(7-10-23)26(32)35-22-8-11-24-25(16-22)36-27(28-24)30-14-12-29(5)13-15-30/h6-11,16,19-20H,12-15,17-18H2,1-5H3