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

Systemtic Name: methyl 4-[3,6-dihydro-2H-pyran-4-ylmethyl-(4-methylphenyl)sulfonyl-amino]but-2-ynoate Openeye Name: methyl 4-[3,6-dihydro-2H-pyran-4-ylmethyl(p-tolylsulfonyl)amino]but-2-ynoate CAS Name: 4-[3,6-dihydro-2H-pyran-4-ylmethyl-(4-methylphenyl)sulfonylamino]-2-butynoic acid methyl ester IUPAC Name: methyl 4-[3,6-dihydro-2H-pyran-4-ylmethyl-(4-methylphenyl)sulfonylamino]but-2-ynoate Traditional Name: 4-[3,6-dihydro-2H-pyran-4-ylmethyl(tosyl)amino]but-2-ynoic acid methyl ester Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO5S/c1-15-5-7-17(8-6-15)25(21,22)19(11-3-4-18(20)23-2)14-16-9-12-24-13-10-16/h5-9H,10-14H2,1-2H3