methyl 5-[(azepan-1-ylsulfonylamino)methyl]-2-methoxy-benzoate

Systemtic Name: methyl 5-[(azepan-1-ylsulfonylamino)methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[(azepan-1-ylsulfonylamino)methyl]-2-methoxy-benzoate CAS Name: 5-[(1-azepanylsulfonylamino)methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[(azepan-1-ylsulfonylamino)methyl]-2-methoxybenzoate Traditional Name: 5-[(azepan-1-ylsulfonylamino)methyl]-2-methoxy-benzoic acid methyl ester Formula: C16H24N2O5S MolecularWeight: 356.43716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNS(=O)(=O)N2CCCCCC2)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNS(=O)(=O)N2CCCCCC2)C(=O)OC

InChI

InChI=1S/C16H24N2O5S/c1-22-15-8-7-13(11-14(15)16(19)23-2)12-17-24(20,21)18-9-5-3-4-6-10-18/h7-8,11,17H,3-6,9-10,12H2,1-2H3