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

Systemtic Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 4-[butyl(ethyl)sulfamoyl]benzoate Openeye Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 4-[butyl(ethyl)sulfamoyl]benzoate CAS Name: 4-[butyl(ethyl)sulfamoyl]benzoic acid [2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 4-[butyl(ethyl)sulfamoyl]benzoate Traditional Name: 4-[butyl(ethyl)sulfamoyl]benzoic acid (2-pyrrolidino-1,3-benzothiazol-6-yl) ester Formula: C24H29N3O4S2 MolecularWeight: 487.63476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)N=C(S3)N4CCCC4

Isomeric SMILES

CCCCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)N=C(S3)N4CCCC4

InChI

InChI=1S/C24H29N3O4S2/c1-3-5-16-27(4-2)33(29,30)20-11-8-18(9-12-20)23(28)31-19-10-13-21-22(17-19)32-24(25-21)26-14-6-7-15-26/h8-13,17H,3-7,14-16H2,1-2H3