5-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)sulfamoyl]thiophene-3-carboxylic acid

Systemtic Name: 5-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)sulfamoyl]thiophene-3-carboxylic acid Openeye Name: 5-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)sulfamoyl]thiophene-3-carboxylic acid CAS Name: 5-[[2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl]sulfamoyl]-3-thiophenecarboxylic acid IUPAC Name: 5-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)sulfamoyl]thiophene-3-carboxylic acid Traditional Name: 5-[(2-pyrrolidino-1,3-benzothiazol-6-yl)sulfamoyl]-3-thenoic acid Formula: C16H15N3O4S3 MolecularWeight: 409.503

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)NS(=O)(=O)C4=CC(=CS4)C(=O)O

Isomeric SMILES

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)NS(=O)(=O)C4=CC(=CS4)C(=O)O

InChI

InChI=1S/C16H15N3O4S3/c20-15(21)10-7-14(24-9-10)26(22,23)18-11-3-4-12-13(8-11)25-16(17-12)19-5-1-2-6-19/h3-4,7-9,18H,1-2,5-6H2,(H,20,21)