methyl 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: methyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: methyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid methyl ester IUPAC Name: methyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid methyl ester Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO4S/c1-19-14(16)12-6-8-13(9-7-12)20(17,18)15-10-4-2-3-5-11-15/h6-9H,2-5,10-11H2,1H3