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

Systemtic Name: 3-(furan-3-ylmethylamino)-N-(3-imidazol-1-ylpropyl)-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 3-(3-furylmethylamino)-N-(3-imidazol-1-ylpropyl)-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 3-(3-furanylmethylamino)-N-[3-(1-imidazolyl)propyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 3-(furan-3-ylmethylamino)-N-(3-imidazol-1-ylpropyl)-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 3-(3-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=COC=C3)C(=O)NCCCN4C=CN=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=CC(=C2)NCC3=COC=C3)C(=O)NCCCN4C=CN=C4

InChI

InChI=1S/C22H27N5O4S/c28-22(24-5-3-7-26-10-6-23-17-26)19-12-20(25-15-18-4-11-31-16-18)14-21(13-19)32(29,30)27-8-1-2-9-27/h4,6,10-14,16-17,25H,1-3,5,7-9,15H2,(H,24,28)