(2S)-N-(3-acetamido-4-fluoranyl-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(3-acetamido-4-fluoranyl-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(3-acetamido-4-fluoro-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-(3-acetamido-4-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(3-acetamido-4-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(3-acetamido-4-fluoro-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxamide Formula: C21H22FN3O6S MolecularWeight: 463.479283

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC4=C(C=C3)OCCO4)F

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)NC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC4=C(C=C3)OCCO4)F

InChI

InChI=1S/C21H22FN3O6S/c1-13(26)23-17-11-14(4-6-16(17)22)24-21(27)18-3-2-8-25(18)32(28,29)15-5-7-19-20(12-15)31-10-9-30-19/h4-7,11-12,18H,2-3,8-10H2,1H3,(H,23,26)(H,24,27)/t18-/m0/s1