3-(2,1,3-benzothiadiazol-5-ylmethylamino)-N-[(4-methoxyphenyl)methyl]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 3-(2,1,3-benzothiadiazol-5-ylmethylamino)-N-[(4-methoxyphenyl)methyl]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 3-(2,1,3-benzothiadiazol-5-ylmethylamino)-N-[(4-methoxyphenyl)methyl]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 3-(2,1,3-benzothiadiazol-5-ylmethylamino)-N-[(4-methoxyphenyl)methyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 3-(2,1,3-benzothiadiazol-5-ylmethylamino)-N-[(4-methoxyphenyl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-p-anisyl-3-(piazthiol-5-ylmethylamino)-5-pyrrolidinosulfonyl-benzamide Formula: C26H27N5O4S2 MolecularWeight: 537.65368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C2=CC(=CC(=C2)S(=O)(=O)N3CCCC3)NCC4=CC5=NSN=C5C=C4

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C2=CC(=CC(=C2)S(=O)(=O)N3CCCC3)NCC4=CC5=NSN=C5C=C4

InChI

InChI=1S/C26H27N5O4S2/c1-35-22-7-4-18(5-8-22)16-28-26(32)20-13-21(15-23(14-20)37(33,34)31-10-2-3-11-31)27-17-19-6-9-24-25(12-19)30-36-29-24/h4-9,12-15,27H,2-3,10-11,16-17H2,1H3,(H,28,32)