5-(azepan-1-ylsulfonyl)-2,4-dimethoxy-benzoic acid

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2,4-dimethoxy-benzoic acid Openeye Name: 5-(azepan-1-ylsulfonyl)-2,4-dimethoxy-benzoic acid CAS Name: 5-(1-azepanylsulfonyl)-2,4-dimethoxybenzoic acid IUPAC Name: 5-(azepan-1-ylsulfonyl)-2,4-dimethoxybenzoic acid Traditional Name: 5-(azepan-1-ylsulfonyl)-2,4-dimethoxy-benzoic acid Formula: C15H21NO6S MolecularWeight: 343.39534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)O)S(=O)(=O)N2CCCCCC2)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)O)S(=O)(=O)N2CCCCCC2)OC

InChI

InChI=1S/C15H21NO6S/c1-21-12-10-13(22-2)14(9-11(12)15(17)18)23(19,20)16-7-5-3-4-6-8-16/h9-10H,3-8H2,1-2H3,(H,17,18)