5-(azepan-1-ylsulfonyl)-4-methyl-2-oxidanyl-benzoic acid

Systemtic Name: 5-(azepan-1-ylsulfonyl)-4-methyl-2-oxidanyl-benzoic acid Openeye Name: 5-(azepan-1-ylsulfonyl)-2-hydroxy-4-methyl-benzoic acid CAS Name: 5-(1-azepanylsulfonyl)-2-hydroxy-4-methylbenzoic acid IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-hydroxy-4-methylbenzoic acid Traditional Name: 5-(azepan-1-ylsulfonyl)-2-hydroxy-4-methyl-benzoic acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)O)C(=O)O)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC1=C(C=C(C(=C1)O)C(=O)O)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C14H19NO5S/c1-10-8-12(16)11(14(17)18)9-13(10)21(19,20)15-6-4-2-3-5-7-15/h8-9,16H,2-7H2,1H3,(H,17,18)