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

Systemtic Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-[butyl(methyl)sulfamoyl]benzoate Openeye Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-[butyl(methyl)sulfamoyl]benzoate CAS Name: 4-[butyl(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-[butyl(methyl)sulfamoyl]benzoate Traditional Name: 4-[butyl(methyl)sulfamoyl]benzoic acid [2-(4-phenylpiperazino)-1,3-benzothiazol-6-yl] ester Formula: C29H32N4O4S2 MolecularWeight: 564.71878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)N=C(S3)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)N=C(S3)N4CCN(CC4)C5=CC=CC=C5

InChI

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