(2-morpholin-4-yl-2-oxidanylidene-ethyl) 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: (2-morpholino-2-oxo-ethyl) 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid (2-keto-2-morpholino-ethyl) ester Formula: C19H26N2O6S MolecularWeight: 410.48454

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)N3CCOCC3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)N3CCOCC3

InChI

InChI=1S/C19H26N2O6S/c22-18(20-10-12-26-13-11-20)15-27-19(23)16-6-5-7-17(14-16)28(24,25)21-8-3-1-2-4-9-21/h5-7,14H,1-4,8-13,15H2