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

Systemtic Name: 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(4-iodanyl-2-methyl-phenyl)piperidine-4-carboxamide Openeye Name: 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(4-iodo-2-methyl-phenyl)piperidine-4-carboxamide CAS Name: 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(4-iodo-2-methylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(4-iodo-2-methylphenyl)piperidine-4-carboxamide Traditional Name: 1-(3,4-dichlorobenzyl)sulfonyl-N-(4-iodo-2-methyl-phenyl)isonipecotamide Formula: C20H21Cl2IN2O3S MolecularWeight: 567.26781

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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(=C(C=C3)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H21Cl2IN2O3S/c1-13-10-16(23)3-5-19(13)24-20(26)15-6-8-25(9-7-15)29(27,28)12-14-2-4-17(21)18(22)11-14/h2-5,10-11,15H,6-9,12H2,1H3,(H,24,26)