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

Systemtic Name: pyridin-2-ylmethyl 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: 2-pyridylmethyl 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid 2-pyridylmethyl ester Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CC=CC=N3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CC=CC=N3

InChI

InChI=1S/C19H22N2O4S/c22-19(25-15-17-9-3-4-11-20-17)16-8-7-10-18(14-16)26(23,24)21-12-5-1-2-6-13-21/h3-4,7-11,14H,1-2,5-6,12-13,15H2