N-[(4-methylsulfonylphenyl)methyl]-3-[3-(3-pyridin-4-ylphenyl)prop-1-ynyl]benzamide

Systemtic Name: N-[(4-methylsulfonylphenyl)methyl]-3-[3-(3-pyridin-4-ylphenyl)prop-1-ynyl]benzamide Openeye Name: N-[(4-methylsulfonylphenyl)methyl]-3-[3-[3-(4-pyridyl)phenyl]prop-1-ynyl]benzamide CAS Name: N-[(4-methylsulfonylphenyl)methyl]-3-[3-(3-pyridin-4-ylphenyl)prop-1-ynyl]benzamide IUPAC Name: N-[(4-methylsulfonylphenyl)methyl]-3-[3-(3-pyridin-4-ylphenyl)prop-1-ynyl]benzamide Traditional Name: N-(4-mesylbenzyl)-3-[3-[3-(4-pyridyl)phenyl]prop-1-ynyl]benzamide Formula: C29H24N2O3S MolecularWeight: 480.57746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H24N2O3S/c1-35(33,34)28-13-11-24(12-14-28)21-31-29(32)27-10-4-8-23(20-27)6-2-5-22-7-3-9-26(19-22)25-15-17-30-18-16-25/h3-4,7-20H,5,21H2,1H3,(H,31,32)