N-(3-iodanylphenyl)-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(3-iodanylphenyl)-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: N-(3-iodophenyl)-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: N-(3-iodophenyl)-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-(3-iodophenyl)-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: N-(3-iodophenyl)-1-mesyl-nipecotamide Formula: C13H17IN2O3S MolecularWeight: 408.25515

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C(=O)NC2=CC(=CC=C2)I

Isomeric SMILES

CS(=O)(=O)N1CCCC(C1)C(=O)NC2=CC(=CC=C2)I

InChI

InChI=1S/C13H17IN2O3S/c1-20(18,19)16-7-3-4-10(9-16)13(17)15-12-6-2-5-11(14)8-12/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,15,17)