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

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl) 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: (2-morpholino-2-oxo-1-phenyl-ethyl) 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid [2-(4-morpholinyl)-2-oxo-1-phenylethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid (2-keto-2-morpholino-1-phenyl-ethyl) ester Formula: C25H30N2O6S MolecularWeight: 486.5805

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC(C3=CC=CC=C3)C(=O)N4CCOCC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC(C3=CC=CC=C3)C(=O)N4CCOCC4

InChI

InChI=1S/C25H30N2O6S/c28-24(26-15-17-32-18-16-26)23(20-9-4-3-5-10-20)33-25(29)21-11-8-12-22(19-21)34(30,31)27-13-6-1-2-7-14-27/h3-5,8-12,19,23H,1-2,6-7,13-18H2