3-[[2-(furan-2-yl)phenyl]methylamino]-N-(2-imidazol-1-ylethyl)-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 3-[[2-(furan-2-yl)phenyl]methylamino]-N-(2-imidazol-1-ylethyl)-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 3-[[2-(2-furyl)phenyl]methylamino]-N-(2-imidazol-1-ylethyl)-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 3-[[2-(2-furanyl)phenyl]methylamino]-N-[2-(1-imidazolyl)ethyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 3-[[2-(furan-2-yl)phenyl]methylamino]-N-(2-imidazol-1-ylethyl)-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 3-[[2-(2-furyl)benzyl]amino]-N-(2-imidazol-1-ylethyl)-5-pyrrolidinosulfonyl-benzamide Formula: C27H29N5O4S MolecularWeight: 519.61526

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=CC(=C2)NCC3=CC=CC=C3C4=CC=CO4)C(=O)NCCN5C=CN=C5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=CC(=C2)NCC3=CC=CC=C3C4=CC=CO4)C(=O)NCCN5C=CN=C5

InChI

InChI=1S/C27H29N5O4S/c33-27(29-10-14-31-13-9-28-20-31)22-16-23(18-24(17-22)37(34,35)32-11-3-4-12-32)30-19-21-6-1-2-7-25(21)26-8-5-15-36-26/h1-2,5-9,13,15-18,20,30H,3-4,10-12,14,19H2,(H,29,33)