2-(azepan-1-ylsulfonylamino)-3-methyl-benzoate

Systemtic Name: 2-(azepan-1-ylsulfonylamino)-3-methyl-benzoate Openeye Name: 2-(azepan-1-ylsulfonylamino)-3-methyl-benzoate CAS Name: 2-(1-azepanylsulfonylamino)-3-methylbenzoate IUPAC Name: 2-(azepan-1-ylsulfonylamino)-3-methylbenzoate Traditional Name: 2-(azepan-1-ylsulfonylamino)-3-methyl-benzoate Formula: C14H19N2O4S- MolecularWeight: 311.37666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NS(=O)(=O)N2CCCCCC2)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1NS(=O)(=O)N2CCCCCC2)C(=O)[O-]

InChI

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