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

Systemtic Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 4-[butyl(methyl)sulfamoyl]benzoate Openeye Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 4-[butyl(methyl)sulfamoyl]benzoate CAS Name: 4-[butyl(methyl)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(methyl)sulfamoyl]benzoate Traditional Name: 4-[butyl(methyl)sulfamoyl]benzoic acid (2-pyrrolidino-1,3-benzothiazol-6-yl) ester Formula: C23H27N3O4S2 MolecularWeight: 473.60818

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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)N4CCCC4

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4S2/c1-3-4-13-25(2)32(28,29)19-10-7-17(8-11-19)22(27)30-18-9-12-20-21(16-18)31-23(24-20)26-14-5-6-15-26/h7-12,16H,3-6,13-15H2,1-2H3