2-(azepan-1-yl)-3-fluoranyl-5-morpholin-4-ylsulfonyl-benzoic acid

Systemtic Name: 2-(azepan-1-yl)-3-fluoranyl-5-morpholin-4-ylsulfonyl-benzoic acid Openeye Name: 2-(azepan-1-yl)-3-fluoro-5-morpholinosulfonyl-benzoic acid CAS Name: 2-(1-azepanyl)-3-fluoro-5-(4-morpholinylsulfonyl)benzoic acid IUPAC Name: 2-(azepan-1-yl)-3-fluoro-5-morpholin-4-ylsulfonylbenzoic acid Traditional Name: 2-(azepan-1-yl)-3-fluoro-5-morpholinosulfonyl-benzoic acid Formula: C17H23FN2O5S MolecularWeight: 386.438323

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2C(=O)O)S(=O)(=O)N3CCOCC3)F

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2C(=O)O)S(=O)(=O)N3CCOCC3)F

InChI

InChI=1S/C17H23FN2O5S/c18-15-12-13(26(23,24)20-7-9-25-10-8-20)11-14(17(21)22)16(15)19-5-3-1-2-4-6-19/h11-12H,1-10H2,(H,21,22)