(phenylmethyl) 4-(4-ethanoylphenyl)sulfonyl-1,4-diazepane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(4-ethanoylphenyl)sulfonyl-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-(4-acetylphenyl)sulfonyl-1,4-diazepane-1-carboxylate CAS Name: 4-(4-acetylphenyl)sulfonyl-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(4-acetylphenyl)sulfonyl-1,4-diazepane-1-carboxylate Traditional Name: 4-(4-acetylphenyl)sulfonyl-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O5S/c1-17(24)19-8-10-20(11-9-19)29(26,27)23-13-5-12-22(14-15-23)21(25)28-16-18-6-3-2-4-7-18/h2-4,6-11H,5,12-16H2,1H3