N-(2-iodanylphenyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(2-iodanylphenyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carboxamide Openeye Name: N-(2-iodophenyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carboxamide CAS Name: N-(2-iodophenyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-iodophenyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carboxamide Traditional Name: N-(2-iodophenyl)-4-(4-mesylbenzyl)-1,4-diazepane-1-carboxamide Formula: C20H24IN3O3S MolecularWeight: 513.39233

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)NC3=CC=CC=C3I

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)NC3=CC=CC=C3I

InChI

InChI=1S/C20H24IN3O3S/c1-28(26,27)17-9-7-16(8-10-17)15-23-11-4-12-24(14-13-23)20(25)22-19-6-3-2-5-18(19)21/h2-3,5-10H,4,11-15H2,1H3,(H,22,25)