methyl 2-[[4-[2-oxidanylidene-2-(phenethylamino)ethyl]-1,4-diazepan-1-yl]sulfonyl]benzoate

Systemtic Name: methyl 2-[[4-[2-oxidanylidene-2-(phenethylamino)ethyl]-1,4-diazepan-1-yl]sulfonyl]benzoate Openeye Name: methyl 2-[[4-[2-oxo-2-(phenethylamino)ethyl]-1,4-diazepan-1-yl]sulfonyl]benzoate CAS Name: 2-[[4-[2-oxo-2-(phenethylamino)ethyl]-1,4-diazepan-1-yl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-[2-oxo-2-(phenethylamino)ethyl]-1,4-diazepan-1-yl]sulfonyl]benzoate Traditional Name: 2-[[4-[2-keto-2-(phenethylamino)ethyl]-1,4-diazepan-1-yl]sulfonyl]benzoic acid methyl ester Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCCN(CC2)CC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCCN(CC2)CC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O5S/c1-31-23(28)20-10-5-6-11-21(20)32(29,30)26-15-7-14-25(16-17-26)18-22(27)24-13-12-19-8-3-2-4-9-19/h2-6,8-11H,7,12-18H2,1H3,(H,24,27)