2-[3-(4-chlorophenyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide

Systemtic Name: 2-[3-(4-chlorophenyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide Openeye Name: 2-[3-(4-chlorophenyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide CAS Name: 2-[3-(4-chlorophenyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]-4-pyridinecarboxamide IUPAC Name: 2-[3-(4-chlorophenyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide Traditional Name: 2-[3-(4-chlorophenyl)prop-1-ynyl]-N-(4-mesylbenzyl)isonicotinamide Formula: C23H19ClN2O3S MolecularWeight: 438.92656

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CNC(=O)C2=CC(=NC=C2)C#CCC3=CC=C(C=C3)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CNC(=O)C2=CC(=NC=C2)C#CCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H19ClN2O3S/c1-30(28,29)22-11-7-18(8-12-22)16-26-23(27)19-13-14-25-21(15-19)4-2-3-17-5-9-20(24)10-6-17/h5-15H,3,16H2,1H3,(H,26,27)