pyridin-2-ylmethyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: pyridin-2-ylmethyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: 2-pyridylmethyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid 2-pyridylmethyl ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCC3=CC=CC=N3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCC3=CC=CC=N3

InChI

InChI=1S/C20H24N2O5S/c1-26-19-10-9-17(28(24,25)22-12-6-2-3-7-13-22)14-18(19)20(23)27-15-16-8-4-5-11-21-16/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3