1-[(3-bromophenyl)methylsulfonyl]-N-(4-iodanyl-2-methyl-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(4-iodanyl-2-methyl-phenyl)piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(4-iodo-2-methyl-phenyl)piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(4-iodo-2-methylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(4-iodo-2-methylphenyl)piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)sulfonyl-N-(4-iodo-2-methyl-phenyl)isonipecotamide Formula: C20H22BrIN2O3S MolecularWeight: 577.27375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H22BrIN2O3S/c1-14-11-18(22)5-6-19(14)23-20(25)16-7-9-24(10-8-16)28(26,27)13-15-3-2-4-17(21)12-15/h2-6,11-12,16H,7-10,13H2,1H3,(H,23,25)