5-(azepan-1-ylsulfonyl)-4-methyl-2-oxidanyl-benzoate

Systemtic Name: 5-(azepan-1-ylsulfonyl)-4-methyl-2-oxidanyl-benzoate Openeye Name: 5-(azepan-1-ylsulfonyl)-2-hydroxy-4-methyl-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-hydroxy-4-methylbenzoate IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-hydroxy-4-methylbenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-hydroxy-4-methyl-benzoate Formula: C14H18NO5S- MolecularWeight: 312.36142

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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)/p-1