methyl 4-[cyclopenten-1-ylmethyl-(4-methylphenyl)sulfonyl-amino]but-2-ynoate

Systemtic Name: methyl 4-[cyclopenten-1-ylmethyl-(4-methylphenyl)sulfonyl-amino]but-2-ynoate Openeye Name: methyl 4-[cyclopenten-1-ylmethyl(p-tolylsulfonyl)amino]but-2-ynoate CAS Name: 4-[1-cyclopentenylmethyl-(4-methylphenyl)sulfonylamino]-2-butynoic acid methyl ester IUPAC Name: methyl 4-[cyclopenten-1-ylmethyl-(4-methylphenyl)sulfonylamino]but-2-ynoate Traditional Name: 4-[cyclopenten-1-ylmethyl(tosyl)amino]but-2-ynoic acid methyl ester Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC#CC(=O)OC)CC2=CCCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC#CC(=O)OC)CC2=CCCC2

InChI

InChI=1S/C18H21NO4S/c1-15-9-11-17(12-10-15)24(21,22)19(13-5-8-18(20)23-2)14-16-6-3-4-7-16/h6,9-12H,3-4,7,13-14H2,1-2H3