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

Systemtic Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate Openeye Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate CAS Name: 4-[cyclohexyl(methyl)sulfamoyl]benzoic acid [2-(4-phenyl-1-piperazinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate Traditional Name: 4-[cyclohexyl(methyl)sulfamoyl]benzoic acid [2-(4-phenylpiperazino)-1,3-benzothiazol-6-yl] ester Formula: C31H34N4O4S2 MolecularWeight: 590.75606

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)N=C(S4)N5CCN(CC5)C6=CC=CC=C6

Isomeric SMILES

CN(C1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)N=C(S4)N5CCN(CC5)C6=CC=CC=C6

InChI

InChI=1S/C31H34N4O4S2/c1-33(24-8-4-2-5-9-24)41(37,38)27-15-12-23(13-16-27)30(36)39-26-14-17-28-29(22-26)40-31(32-28)35-20-18-34(19-21-35)25-10-6-3-7-11-25/h3,6-7,10-17,22,24H,2,4-5,8-9,18-21H2,1H3