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

Systemtic Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 4-[bis(2-methylpropyl)sulfamoyl]benzoate Openeye Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 4-(diisobutylsulfamoyl)benzoate CAS Name: 4-[bis(2-methylpropyl)sulfamoyl]benzoic acid [2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 4-[bis(2-methylpropyl)sulfamoyl]benzoate Traditional Name: 4-(diisobutylsulfamoyl)benzoic acid (2-pyrrolidino-1,3-benzothiazol-6-yl) ester Formula: C26H33N3O4S2 MolecularWeight: 515.68792

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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)N4CCCC4

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)N4CCCC4

InChI

InChI=1S/C26H33N3O4S2/c1-18(2)16-29(17-19(3)4)35(31,32)22-10-7-20(8-11-22)25(30)33-21-9-12-23-24(15-21)34-26(27-23)28-13-5-6-14-28/h7-12,15,18-19H,5-6,13-14,16-17H2,1-4H3