[2-oxidanylidene-2-(2-phenoxyethylamino)ethyl] 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(2-phenoxyethylamino)ethyl] 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-oxo-2-(2-phenoxyethylamino)ethyl] 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid [2-oxo-2-(2-phenoxyethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenoxyethylamino)ethyl] 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid [2-keto-2-(2-phenoxyethylamino)ethyl] ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCCOC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCCOC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O6S/c26-22(24-13-16-30-20-10-4-3-5-11-20)18-31-23(27)19-9-8-12-21(17-19)32(28,29)25-14-6-1-2-7-15-25/h3-5,8-12,17H,1-2,6-7,13-16,18H2,(H,24,26)