N-(3-iodanyl-4-methyl-phenyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-iodanyl-4-methyl-phenyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-iodo-4-methyl-phenyl)-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-(3-iodo-4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-iodo-4-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-iodo-4-methyl-phenyl)-1-tosyl-isonipecotamide Formula: C20H23IN2O3S MolecularWeight: 498.37769

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)C)I

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)C)I

InChI

InChI=1S/C20H23IN2O3S/c1-14-3-7-18(8-4-14)27(25,26)23-11-9-16(10-12-23)20(24)22-17-6-5-15(2)19(21)13-17/h3-8,13,16H,9-12H2,1-2H3,(H,22,24)