2-[azepan-1-ylsulfonyl(methyl)amino]benzoate

Systemtic Name: 2-[azepan-1-ylsulfonyl(methyl)amino]benzoate Openeye Name: 2-[azepan-1-ylsulfonyl(methyl)amino]benzoate CAS Name: 2-[1-azepanylsulfonyl(methyl)amino]benzoate IUPAC Name: 2-[azepan-1-ylsulfonyl(methyl)amino]benzoate Traditional Name: 2-[azepan-1-ylsulfonyl(methyl)amino]benzoate Formula: C14H19N2O4S- MolecularWeight: 311.37666

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)[O-])S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C14H20N2O4S/c1-15(13-9-5-4-8-12(13)14(17)18)21(19,20)16-10-6-2-3-7-11-16/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H,17,18)/p-1