3-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)sulfamoyl]benzoic acid

Systemtic Name: 3-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)sulfamoyl]benzoic acid Openeye Name: 3-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)sulfamoyl]benzoic acid CAS Name: 3-[[2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl]sulfamoyl]benzoic acid IUPAC Name: 3-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)sulfamoyl]benzoic acid Traditional Name: 3-[(2-pyrrolidino-1,3-benzothiazol-6-yl)sulfamoyl]benzoic acid Formula: C18H17N3O4S2 MolecularWeight: 403.47528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C18H17N3O4S2/c22-17(23)12-4-3-5-14(10-12)27(24,25)20-13-6-7-15-16(11-13)26-18(19-15)21-8-1-2-9-21/h3-7,10-11,20H,1-2,8-9H2,(H,22,23)