N-(4-iodanyl-2-methyl-phenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-(4-iodanyl-2-methyl-phenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide Openeye Name: N-(4-iodo-2-methyl-phenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide CAS Name: N-(4-iodo-2-methylphenyl)-1-(3-phenylpropylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(4-iodo-2-methylphenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide Traditional Name: N-(4-iodo-2-methyl-phenyl)-1-(3-phenylpropylsulfonyl)isonipecotamide Formula: C22H27IN2O3S MolecularWeight: 526.43085

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)C2CCN(CC2)S(=O)(=O)CCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)C2CCN(CC2)S(=O)(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C22H27IN2O3S/c1-17-16-20(23)9-10-21(17)24-22(26)19-11-13-25(14-12-19)29(27,28)15-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-10,16,19H,5,8,11-15H2,1H3,(H,24,26)