3-(azepan-1-ylsulfonylamino)-4-methyl-benzoic acid

Systemtic Name: 3-(azepan-1-ylsulfonylamino)-4-methyl-benzoic acid Openeye Name: 3-(azepan-1-ylsulfonylamino)-4-methyl-benzoic acid CAS Name: 3-(1-azepanylsulfonylamino)-4-methylbenzoic acid IUPAC Name: 3-(azepan-1-ylsulfonylamino)-4-methylbenzoic acid Traditional Name: 3-(azepan-1-ylsulfonylamino)-4-methyl-benzoic acid Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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