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

Systemtic Name: 3-(3-methoxy-3-phenyl-prop-1-ynyl)-N-[(4-methylsulfonylphenyl)methyl]benzamide Openeye Name: 3-(3-methoxy-3-phenyl-prop-1-ynyl)-N-[(4-methylsulfonylphenyl)methyl]benzamide CAS Name: 3-(3-methoxy-3-phenylprop-1-ynyl)-N-[(4-methylsulfonylphenyl)methyl]benzamide IUPAC Name: 3-(3-methoxy-3-phenylprop-1-ynyl)-N-[(4-methylsulfonylphenyl)methyl]benzamide Traditional Name: N-(4-mesylbenzyl)-3-(3-methoxy-3-phenyl-prop-1-ynyl)benzamide Formula: C25H23NO4S MolecularWeight: 433.51942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23NO4S/c1-30-24(21-8-4-3-5-9-21)16-13-19-7-6-10-22(17-19)25(27)26-18-20-11-14-23(15-12-20)31(2,28)29/h3-12,14-15,17,24H,18H2,1-2H3,(H,26,27)