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

Systemtic Name: ethyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: ethyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid ethyl ester IUPAC Name: ethyl 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid ethyl ester Formula: C16H23NO5S MolecularWeight: 341.42252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC

InChI

InChI=1S/C16H23NO5S/c1-3-22-16(18)14-12-13(8-9-15(14)21-2)23(19,20)17-10-6-4-5-7-11-17/h8-9,12H,3-7,10-11H2,1-2H3