pyridin-2-ylmethyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: pyridin-2-ylmethyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: 2-pyridylmethyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-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)C(=O)OCC2=CC=CC=N2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=N2)S(=O)(=O)N3CCCCCC3

InChI

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