methyl 3-[2-[3,6-dihydro-2H-pyran-4-ylmethyl-(4-methylphenyl)sulfonyl-amino]phenyl]prop-2-ynoate

Systemtic Name: methyl 3-[2-[3,6-dihydro-2H-pyran-4-ylmethyl-(4-methylphenyl)sulfonyl-amino]phenyl]prop-2-ynoate Openeye Name: methyl 3-[2-[3,6-dihydro-2H-pyran-4-ylmethyl(p-tolylsulfonyl)amino]phenyl]prop-2-ynoate CAS Name: 3-[2-[3,6-dihydro-2H-pyran-4-ylmethyl-(4-methylphenyl)sulfonylamino]phenyl]-2-propynoic acid methyl ester IUPAC Name: methyl 3-[2-[3,6-dihydro-2H-pyran-4-ylmethyl-(4-methylphenyl)sulfonylamino]phenyl]prop-2-ynoate Traditional Name: 3-[2-[3,6-dihydro-2H-pyran-4-ylmethyl(tosyl)amino]phenyl]propiolic acid methyl ester Formula: C23H23NO5S MolecularWeight: 425.49742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CCOCC2)C3=CC=CC=C3C#CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CCOCC2)C3=CC=CC=C3C#CC(=O)OC

InChI

InChI=1S/C23H23NO5S/c1-18-7-10-21(11-8-18)30(26,27)24(17-19-13-15-29-16-14-19)22-6-4-3-5-20(22)9-12-23(25)28-2/h3-8,10-11,13H,14-17H2,1-2H3