[2-oxidanylidene-2-(phenethylamino)ethyl] 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O5S/c26-22(24-15-14-19-8-4-3-5-9-19)18-30-23(27)20-10-12-21(13-11-20)31(28,29)25-16-6-1-2-7-17-25/h3-5,8-13H,1-2,6-7,14-18H2,(H,24,26)