3-(2,1,3-benzothiadiazol-5-ylmethylamino)-N-(1,3-dihydro-2-benzofuran-5-yl)-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 3-(2,1,3-benzothiadiazol-5-ylmethylamino)-N-(1,3-dihydro-2-benzofuran-5-yl)-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 3-(2,1,3-benzothiadiazol-5-ylmethylamino)-N-(1,3-dihydroisobenzofuran-5-yl)-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 3-(2,1,3-benzothiadiazol-5-ylmethylamino)-N-(1,3-dihydroisobenzofuran-5-yl)-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 3-(2,1,3-benzothiadiazol-5-ylmethylamino)-N-(1,3-dihydro-2-benzofuran-5-yl)-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-phthalan-5-yl-3-(piazthiol-5-ylmethylamino)-5-pyrrolidinosulfonyl-benzamide Formula: C26H25N5O4S2 MolecularWeight: 535.6378

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=CC(=C2)NCC3=CC4=NSN=C4C=C3)C(=O)NC5=CC6=C(COC6)C=C5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=CC(=C2)NCC3=CC4=NSN=C4C=C3)C(=O)NC5=CC6=C(COC6)C=C5

InChI

InChI=1S/C26H25N5O4S2/c32-26(28-21-5-4-18-15-35-16-20(18)11-21)19-10-22(13-23(12-19)37(33,34)31-7-1-2-8-31)27-14-17-3-6-24-25(9-17)30-36-29-24/h3-6,9-13,27H,1-2,7-8,14-16H2,(H,28,32)