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

Systemtic Name: 2-chloranyl-N-[(4-phenyl-1-propylsulfonyl-piperidin-4-yl)methyl]pyridine-3-carboxamide Openeye Name: 2-chloro-N-[(4-phenyl-1-propylsulfonyl-4-piperidyl)methyl]pyridine-3-carboxamide CAS Name: 2-chloro-N-[(4-phenyl-1-propylsulfonyl-4-piperidinyl)methyl]-3-pyridinecarboxamide IUPAC Name: 2-chloro-N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide Traditional Name: 2-chloro-N-[(4-phenyl-1-propylsulfonyl-4-piperidyl)methyl]nicotinamide Formula: C21H26ClN3O3S MolecularWeight: 435.96744

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC(CC1)(CNC(=O)C2=C(N=CC=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CCCS(=O)(=O)N1CCC(CC1)(CNC(=O)C2=C(N=CC=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H26ClN3O3S/c1-2-15-29(27,28)25-13-10-21(11-14-25,17-7-4-3-5-8-17)16-24-20(26)18-9-6-12-23-19(18)22/h3-9,12H,2,10-11,13-16H2,1H3,(H,24,26)