methyl 4-(azepan-1-ylsulfonylamino)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NS(=O)(=O)N2CCCCCC2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NS(=O)(=O)N2CCCCCC2

InChI

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