4-iodanyl-2-(methylamino)-N-[(4-phenyl-1-propylsulfonyl-piperidin-4-yl)methyl]pyridine-3-carboxamide

Systemtic Name: 4-iodanyl-2-(methylamino)-N-[(4-phenyl-1-propylsulfonyl-piperidin-4-yl)methyl]pyridine-3-carboxamide Openeye Name: 4-iodo-2-(methylamino)-N-[(4-phenyl-1-propylsulfonyl-4-piperidyl)methyl]pyridine-3-carboxamide CAS Name: 4-iodo-2-(methylamino)-N-[(4-phenyl-1-propylsulfonyl-4-piperidinyl)methyl]-3-pyridinecarboxamide IUPAC Name: 4-iodo-2-(methylamino)-N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide Traditional Name: 4-iodo-2-(methylamino)-N-[(4-phenyl-1-propylsulfonyl-4-piperidyl)methyl]nicotinamide Formula: C22H29IN4O3S MolecularWeight: 556.46013

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC(CC1)(CNC(=O)C2=C(C=CN=C2NC)I)C3=CC=CC=C3

Isomeric SMILES

CCCS(=O)(=O)N1CCC(CC1)(CNC(=O)C2=C(C=CN=C2NC)I)C3=CC=CC=C3

InChI

InChI=1S/C22H29IN4O3S/c1-3-15-31(29,30)27-13-10-22(11-14-27,17-7-5-4-6-8-17)16-26-21(28)19-18(23)9-12-25-20(19)24-2/h4-9,12H,3,10-11,13-16H2,1-2H3,(H,24,25)(H,26,28)