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

Systemtic Name: N-[(4-methylsulfonylphenyl)methyl]-2-[3-(3-pyridin-3-ylphenyl)prop-1-ynyl]pyridine-4-carboxamide Openeye Name: N-[(4-methylsulfonylphenyl)methyl]-2-[3-[3-(3-pyridyl)phenyl]prop-1-ynyl]pyridine-4-carboxamide CAS Name: N-[(4-methylsulfonylphenyl)methyl]-2-[3-[3-(3-pyridinyl)phenyl]prop-1-ynyl]-4-pyridinecarboxamide IUPAC Name: N-[(4-methylsulfonylphenyl)methyl]-2-[3-(3-pyridin-3-ylphenyl)prop-1-ynyl]pyridine-4-carboxamide Traditional Name: N-(4-mesylbenzyl)-2-[3-[3-(3-pyridyl)phenyl]prop-1-ynyl]isonicotinamide Formula: C28H23N3O3S MolecularWeight: 481.56552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CNC(=O)C2=CC(=NC=C2)C#CCC3=CC=CC(=C3)C4=CN=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CNC(=O)C2=CC(=NC=C2)C#CCC3=CC=CC(=C3)C4=CN=CC=C4

InChI

InChI=1S/C28H23N3O3S/c1-35(33,34)27-12-10-22(11-13-27)19-31-28(32)24-14-16-30-26(18-24)9-3-6-21-5-2-7-23(17-21)25-8-4-15-29-20-25/h2,4-5,7-8,10-18,20H,6,19H2,1H3,(H,31,32)