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

Systemtic Name: (phenylmethyl) 4-(4-iodophenyl)sulfonyl-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-(4-iodophenyl)sulfonyl-1,4-diazepane-1-carboxylate CAS Name: 4-(4-iodophenyl)sulfonyl-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(4-iodophenyl)sulfonyl-1,4-diazepane-1-carboxylate Traditional Name: 4-(4-iodophenyl)sulfonyl-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C19H21IN2O4S MolecularWeight: 500.35051

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21IN2O4S/c20-17-7-9-18(10-8-17)27(24,25)22-12-4-11-21(13-14-22)19(23)26-15-16-5-2-1-3-6-16/h1-3,5-10H,4,11-15H2