2-(azepan-1-ylsulfonylamino)-5-methyl-benzoate

Systemtic Name: 2-(azepan-1-ylsulfonylamino)-5-methyl-benzoate Openeye Name: 2-(azepan-1-ylsulfonylamino)-5-methyl-benzoate CAS Name: 2-(1-azepanylsulfonylamino)-5-methylbenzoate IUPAC Name: 2-(azepan-1-ylsulfonylamino)-5-methylbenzoate Traditional Name: 2-(azepan-1-ylsulfonylamino)-5-methyl-benzoate Formula: C14H19N2O4S- MolecularWeight: 311.37666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)N2CCCCCC2)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)N2CCCCCC2)C(=O)[O-]

InChI

InChI=1S/C14H20N2O4S/c1-11-6-7-13(12(10-11)14(17)18)15-21(19,20)16-8-4-2-3-5-9-16/h6-7,10,15H,2-5,8-9H2,1H3,(H,17,18)/p-1