methyl 2-[(4-methylphenyl)sulfonylamino]hept-4-ynoate

Systemtic Name: methyl 2-[(4-methylphenyl)sulfonylamino]hept-4-ynoate Openeye Name: methyl 2-(p-tolylsulfonylamino)hept-4-ynoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]-4-heptynoic acid methyl ester IUPAC Name: methyl 2-[(4-methylphenyl)sulfonylamino]hept-4-ynoate Traditional Name: 2-(tosylamino)hept-4-ynoic acid methyl ester Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCC(C(=O)OC)NS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCC#CCC(C(=O)OC)NS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C15H19NO4S/c1-4-5-6-7-14(15(17)20-3)16-21(18,19)13-10-8-12(2)9-11-13/h8-11,14,16H,4,7H2,1-3H3