[2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-(dipropylsulfamoyl)benzoate

Systemtic Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-(dipropylsulfamoyl)benzoate Openeye Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-(dipropylsulfamoyl)benzoate CAS Name: 4-(dipropylsulfamoyl)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-(dipropylsulfamoyl)benzoate Traditional Name: 4-(dipropylsulfamoyl)benzoic acid [2-(4-phenylpiperazino)-1,3-benzothiazol-6-yl] ester Formula: C30H34N4O4S2 MolecularWeight: 578.74536

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)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

CCCN(CCC)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/C30H34N4O4S2/c1-3-16-34(17-4-2)40(36,37)26-13-10-23(11-14-26)29(35)38-25-12-15-27-28(22-25)39-30(31-27)33-20-18-32(19-21-33)24-8-6-5-7-9-24/h5-15,22H,3-4,16-21H2,1-2H3