N-(3-iodanyl-4-methyl-phenyl)-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-iodanyl-4-methyl-phenyl)-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-iodo-4-methyl-phenyl)-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-(3-iodo-4-methylphenyl)-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(3-iodo-4-methylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(3-iodo-4-methyl-phenyl)-1-(3-pyridylsulfonyl)isonipecotamide Formula: C18H20IN3O3S MolecularWeight: 485.33917

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20IN3O3S/c1-13-4-5-15(11-17(13)19)21-18(23)14-6-9-22(10-7-14)26(24,25)16-3-2-8-20-12-16/h2-5,8,11-12,14H,6-7,9-10H2,1H3,(H,21,23)