1-[5-methoxy-2-[[3-(phenylmethyl)-2H-pyran-6-yl]amino]phenyl]-2-methylsulfinyl-ethanone

Systemtic Name: 1-[5-methoxy-2-[[3-(phenylmethyl)-2H-pyran-6-yl]amino]phenyl]-2-methylsulfinyl-ethanone Openeye Name: 1-[2-[(3-benzyl-2H-pyran-6-yl)amino]-5-methoxy-phenyl]-2-methylsulfinyl-ethanone CAS Name: 1-[5-methoxy-2-[[3-(phenylmethyl)-2H-pyran-6-yl]amino]phenyl]-2-methylsulfinylethanone IUPAC Name: 1-[2-[(3-benzyl-2H-pyran-6-yl)amino]-5-methoxyphenyl]-2-methylsulfinylethanone Traditional Name: 1-[2-[(3-benzyl-2H-pyran-6-yl)amino]-5-methoxy-phenyl]-2-methylsulfinyl-ethanone Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC2=CC=C(CO2)CC3=CC=CC=C3)C(=O)CS(=O)C

Isomeric SMILES

COC1=CC(=C(C=C1)NC2=CC=C(CO2)CC3=CC=CC=C3)C(=O)CS(=O)C

InChI

InChI=1S/C22H23NO4S/c1-26-18-9-10-20(19(13-18)21(24)15-28(2)25)23-22-11-8-17(14-27-22)12-16-6-4-3-5-7-16/h3-11,13,23H,12,14-15H2,1-2H3