3-(furan-2-ylmethylamino)-N-(3-imidazol-1-ylpropyl)-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 3-(furan-2-ylmethylamino)-N-(3-imidazol-1-ylpropyl)-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 3-(2-furylmethylamino)-N-(3-imidazol-1-ylpropyl)-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 3-(2-furanylmethylamino)-N-[3-(1-imidazolyl)propyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 3-(furan-2-ylmethylamino)-N-(3-imidazol-1-ylpropyl)-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 3-(2-furfurylamino)-N-(3-imidazol-1-ylpropyl)-5-pyrrolidinosulfonyl-benzamide Formula: C22H27N5O4S MolecularWeight: 457.54588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=CC(=C2)NCC3=CC=CO3)C(=O)NCCCN4C=CN=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=CC(=C2)NCC3=CC=CO3)C(=O)NCCCN4C=CN=C4

InChI

InChI=1S/C22H27N5O4S/c28-22(24-6-4-8-26-11-7-23-17-26)18-13-19(25-16-20-5-3-12-31-20)15-21(14-18)32(29,30)27-9-1-2-10-27/h3,5,7,11-15,17,25H,1-2,4,6,8-10,16H2,(H,24,28)