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

Systemtic Name: (2-piperidin-1-yl-1,3-benzothiazol-6-yl) 4-[bis(2-methylpropyl)sulfamoyl]benzoate Openeye Name: [2-(1-piperidyl)-1,3-benzothiazol-6-yl] 4-(diisobutylsulfamoyl)benzoate CAS Name: 4-[bis(2-methylpropyl)sulfamoyl]benzoic acid [2-(1-piperidinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-piperidin-1-yl-1,3-benzothiazol-6-yl) 4-[bis(2-methylpropyl)sulfamoyl]benzoate Traditional Name: 4-(diisobutylsulfamoyl)benzoic acid (2-piperidino-1,3-benzothiazol-6-yl) ester Formula: C27H35N3O4S2 MolecularWeight: 529.7145

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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)N4CCCCC4

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)N4CCCCC4

InChI

InChI=1S/C27H35N3O4S2/c1-19(2)17-30(18-20(3)4)36(32,33)23-11-8-21(9-12-23)26(31)34-22-10-13-24-25(16-22)35-27(28-24)29-14-6-5-7-15-29/h8-13,16,19-20H,5-7,14-15,17-18H2,1-4H3