(phenylmethyl) 4-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-1,4-diazepane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-(3-chloro-4-fluoro-phenyl)sulfonyl-1,4-diazepane-1-carboxylate CAS Name: 4-(3-chloro-4-fluorophenyl)sulfonyl-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(3-chloro-4-fluorophenyl)sulfonyl-1,4-diazepane-1-carboxylate Traditional Name: 4-(3-chloro-4-fluoro-phenyl)sulfonyl-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C19H20ClFN2O4S MolecularWeight: 426.889503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClFN2O4S/c20-17-13-16(7-8-18(17)21)28(25,26)23-10-4-9-22(11-12-23)19(24)27-14-15-5-2-1-3-6-15/h1-3,5-8,13H,4,9-12,14H2