(phenylmethyl) 4-[3,5-bis(chloranyl)-2-oxidanyl-phenyl]sulfonyl-1,4-diazepane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[3,5-bis(chloranyl)-2-oxidanyl-phenyl]sulfonyl-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-(3,5-dichloro-2-hydroxy-phenyl)sulfonyl-1,4-diazepane-1-carboxylate CAS Name: 4-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-1,4-diazepane-1-carboxylate Traditional Name: 4-(3,5-dichloro-2-hydroxy-phenyl)sulfonyl-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C19H20Cl2N2O5S MolecularWeight: 459.3435

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC(=CC(=C2O)Cl)Cl)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC(=CC(=C2O)Cl)Cl)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H20Cl2N2O5S/c20-15-11-16(21)18(24)17(12-15)29(26,27)23-8-4-7-22(9-10-23)19(25)28-13-14-5-2-1-3-6-14/h1-3,5-6,11-12,24H,4,7-10,13H2