2-[4-(azepan-1-ylsulfonyl)phenoxy]ethanoic acid

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]ethanoic acid Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]acetic acid CAS Name: 2-[4-(1-azepanylsulfonyl)phenoxy]acetic acid IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]acetic acid Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]acetic acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)O

InChI

InChI=1S/C14H19NO5S/c16-14(17)11-20-12-5-7-13(8-6-12)21(18,19)15-9-3-1-2-4-10-15/h5-8H,1-4,9-11H2,(H,16,17)