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

Systemtic Name: 3-[[3-(furan-2-yl)phenyl]methylamino]-N-(2-imidazol-1-ylethyl)-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 3-[[3-(2-furyl)phenyl]methylamino]-N-(2-imidazol-1-ylethyl)-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 3-[[3-(2-furanyl)phenyl]methylamino]-N-[2-(1-imidazolyl)ethyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 3-[[3-(furan-2-yl)phenyl]methylamino]-N-(2-imidazol-1-ylethyl)-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 3-[[3-(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(=C3)C4=CC=CO4)C(=O)NCCN5C=CN=C5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=CC(=C2)NCC3=CC=CC(=C3)C4=CC=CO4)C(=O)NCCN5C=CN=C5

InChI

InChI=1S/C27H29N5O4S/c33-27(29-9-13-31-12-8-28-20-31)23-16-24(18-25(17-23)37(34,35)32-10-1-2-11-32)30-19-21-5-3-6-22(15-21)26-7-4-14-36-26/h3-8,12,14-18,20,30H,1-2,9-11,13,19H2,(H,29,33)