1-[[2,6-bis(chloranyl)phenyl]methylsulfonyl]-N-(4-iodanyl-2-methyl-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-[[2,6-bis(chloranyl)phenyl]methylsulfonyl]-N-(4-iodanyl-2-methyl-phenyl)piperidine-4-carboxamide Openeye Name: 1-[(2,6-dichlorophenyl)methylsulfonyl]-N-(4-iodo-2-methyl-phenyl)piperidine-4-carboxamide CAS Name: 1-[(2,6-dichlorophenyl)methylsulfonyl]-N-(4-iodo-2-methylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-[(2,6-dichlorophenyl)methylsulfonyl]-N-(4-iodo-2-methylphenyl)piperidine-4-carboxamide Traditional Name: 1-(2,6-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=C(C=CC=C3Cl)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=C(C=CC=C3Cl)Cl

InChI

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