N-[(4-methylsulfonylphenyl)methyl]-3-(3-phenylbut-1-ynyl)pyridine-4-carboxamide

Systemtic Name: N-[(4-methylsulfonylphenyl)methyl]-3-(3-phenylbut-1-ynyl)pyridine-4-carboxamide Openeye Name: N-[(4-methylsulfonylphenyl)methyl]-3-(3-phenylbut-1-ynyl)pyridine-4-carboxamide CAS Name: N-[(4-methylsulfonylphenyl)methyl]-3-(3-phenylbut-1-ynyl)-4-pyridinecarboxamide IUPAC Name: N-[(4-methylsulfonylphenyl)methyl]-3-(3-phenylbut-1-ynyl)pyridine-4-carboxamide Traditional Name: N-(4-mesylbenzyl)-3-(3-phenylbut-1-ynyl)isonicotinamide Formula: C24H22N2O3S MolecularWeight: 418.50808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=C(C=CN=C1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3

Isomeric SMILES

CC(C#CC1=C(C=CN=C1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C24H22N2O3S/c1-18(20-6-4-3-5-7-20)8-11-21-17-25-15-14-23(21)24(27)26-16-19-9-12-22(13-10-19)30(2,28)29/h3-7,9-10,12-15,17-18H,16H2,1-2H3,(H,26,27)