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

Systemtic Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 4-[bis(prop-2-enyl)sulfamoyl]benzoate Openeye Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 4-(diallylsulfamoyl)benzoate CAS Name: 4-[bis(prop-2-enyl)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(prop-2-enyl)sulfamoyl]benzoate Traditional Name: 4-(diallylsulfamoyl)benzoic acid (2-pyrrolidino-1,3-benzothiazol-6-yl) ester Formula: C24H25N3O4S2 MolecularWeight: 483.603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O4S2/c1-3-13-27(14-4-2)33(29,30)20-10-7-18(8-11-20)23(28)31-19-9-12-21-22(17-19)32-24(25-21)26-15-5-6-16-26/h3-4,7-12,17H,1-2,5-6,13-16H2