1-[[2,6-bis(chloranyl)phenyl]methylsulfonyl]-N-(4-iodanyl-2-methyl-phenyl)piperidine-3-carboxamide

Systemtic Name: 1-[[2,6-bis(chloranyl)phenyl]methylsulfonyl]-N-(4-iodanyl-2-methyl-phenyl)piperidine-3-carboxamide Openeye Name: 1-[(2,6-dichlorophenyl)methylsulfonyl]-N-(4-iodo-2-methyl-phenyl)piperidine-3-carboxamide CAS Name: 1-[(2,6-dichlorophenyl)methylsulfonyl]-N-(4-iodo-2-methylphenyl)-3-piperidinecarboxamide IUPAC Name: 1-[(2,6-dichlorophenyl)methylsulfonyl]-N-(4-iodo-2-methylphenyl)piperidine-3-carboxamide Traditional Name: 1-(2,6-dichlorobenzyl)sulfonyl-N-(4-iodo-2-methyl-phenyl)nipecotamide Formula: C20H21Cl2IN2O3S MolecularWeight: 567.26781

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)C2CCCN(C2)S(=O)(=O)CC3=C(C=CC=C3Cl)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)C2CCCN(C2)S(=O)(=O)CC3=C(C=CC=C3Cl)Cl

InChI

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