methyl (2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pent-4-ynoate

Systemtic Name: methyl (2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pent-4-ynoate Openeye Name: methyl (2S,3S)-3-methyl-2-(p-tolylsulfonylamino)pent-4-ynoate CAS Name: (2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-4-pentynoic acid methyl ester IUPAC Name: methyl (2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pent-4-ynoate Traditional Name: (2S,3S)-3-methyl-2-(tosylamino)pent-4-ynoic acid methyl ester Formula: C14H17NO4S MolecularWeight: 295.35408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C#C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]([C@@H](C)C#C)C(=O)OC

InChI

InChI=1S/C14H17NO4S/c1-5-11(3)13(14(16)19-4)15-20(17,18)12-8-6-10(2)7-9-12/h1,6-9,11,13,15H,2-4H3/t11-,13-/m0/s1