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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)C2CCCN(C2)S(=O)(=O)CCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)C2CCCN(C2)S(=O)(=O)CCCC3=CC=CC=C3

InChI

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