3-[3-[3-(3-methoxypyridin-4-yl)phenyl]prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide

Systemtic Name: 3-[3-[3-(3-methoxypyridin-4-yl)phenyl]prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide Openeye Name: 3-[3-[3-(3-methoxy-4-pyridyl)phenyl]prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide CAS Name: 3-[3-[3-(3-methoxy-4-pyridinyl)phenyl]prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide IUPAC Name: 3-[3-[3-(3-methoxypyridin-4-yl)phenyl]prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]benzamide Traditional Name: N-(4-mesylbenzyl)-3-[3-[3-(3-methoxy-4-pyridyl)phenyl]prop-1-ynyl]benzamide Formula: C30H26N2O4S MolecularWeight: 510.60344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CN=C1)C2=CC(=CC=C2)CC#CC3=CC(=CC=C3)C(=O)NCC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=CN=C1)C2=CC(=CC=C2)CC#CC3=CC(=CC=C3)C(=O)NCC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C30H26N2O4S/c1-36-29-21-31-17-16-28(29)25-10-4-8-22(18-25)6-3-7-23-9-5-11-26(19-23)30(33)32-20-24-12-14-27(15-13-24)37(2,34)35/h4-5,8-19,21H,6,20H2,1-2H3,(H,32,33)