tert-butyl 4-[[but-3-ynyl-(4-methylphenyl)sulfonyl-amino]methyl]-2,3-dihydropyrrole-1-carboxylate

Systemtic Name: tert-butyl 4-[[but-3-ynyl-(4-methylphenyl)sulfonyl-amino]methyl]-2,3-dihydropyrrole-1-carboxylate Openeye Name: tert-butyl 4-[[but-3-ynyl(p-tolylsulfonyl)amino]methyl]-2,3-dihydropyrrole-1-carboxylate CAS Name: 4-[[but-3-ynyl-(4-methylphenyl)sulfonylamino]methyl]-2,3-dihydropyrrole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[but-3-ynyl-(4-methylphenyl)sulfonylamino]methyl]-2,3-dihydropyrrole-1-carboxylate Traditional Name: 3-[[but-3-ynyl(tosyl)amino]methyl]-2-pyrroline-1-carboxylic acid tert-butyl ester Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O4S/c1-6-7-13-23(28(25,26)19-10-8-17(2)9-11-19)16-18-12-14-22(15-18)20(24)27-21(3,4)5/h1,8-11,15H,7,12-14,16H2,2-5H3