2,4-bis(fluoranyl)-N-[3-oxidanylidene-3-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methylamino]propyl]benzamide

Systemtic Name: 2,4-bis(fluoranyl)-N-[3-oxidanylidene-3-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methylamino]propyl]benzamide Openeye Name: 2,4-difluoro-N-[3-oxo-3-[(5-pyrrolidin-1-ylsulfonyl-2-thienyl)methylamino]propyl]benzamide CAS Name: 2,4-difluoro-N-[3-oxo-3-[[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]methylamino]propyl]benzamide IUPAC Name: 2,4-difluoro-N-[3-oxo-3-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methylamino]propyl]benzamide Traditional Name: 2,4-difluoro-N-[3-keto-3-[(5-pyrrolidinosulfonyl-2-thienyl)methylamino]propyl]benzamide Formula: C19H21F2N3O4S2 MolecularWeight: 457.514546

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(S2)CNC(=O)CCNC(=O)C3=C(C=C(C=C3)F)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(S2)CNC(=O)CCNC(=O)C3=C(C=C(C=C3)F)F

InChI

InChI=1S/C19H21F2N3O4S2/c20-13-3-5-15(16(21)11-13)19(26)22-8-7-17(25)23-12-14-4-6-18(29-14)30(27,28)24-9-1-2-10-24/h3-6,11H,1-2,7-10,12H2,(H,22,26)(H,23,25)