methyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: methyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: methyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid methyl ester Formula: C15H21NO5S MolecularWeight: 327.39594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO5S/c1-20-14-8-7-12(11-13(14)15(17)21-2)22(18,19)16-9-5-3-4-6-10-16/h7-8,11H,3-6,9-10H2,1-2H3