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

Systemtic Name: pyridin-2-ylmethyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: 2-pyridylmethyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(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=C(C=C2)C(=O)OCC3=CC=CC=N3

Isomeric SMILES

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

InChI

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