methyl 5-[cyclobuten-1-ylmethyl-(4-methylphenyl)sulfonyl-amino]pent-2-ynoate

Systemtic Name: methyl 5-[cyclobuten-1-ylmethyl-(4-methylphenyl)sulfonyl-amino]pent-2-ynoate Openeye Name: methyl 5-[cyclobuten-1-ylmethyl(p-tolylsulfonyl)amino]pent-2-ynoate CAS Name: 5-[1-cyclobutenylmethyl-(4-methylphenyl)sulfonylamino]-2-pentynoic acid methyl ester IUPAC Name: methyl 5-[cyclobuten-1-ylmethyl-(4-methylphenyl)sulfonylamino]pent-2-ynoate Traditional Name: 5-[cyclobuten-1-ylmethyl(tosyl)amino]pent-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(CCC#CC(=O)OC)CC2=CCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC#CC(=O)OC)CC2=CCC2

InChI

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