methyl 4-[(4-methylphenyl)sulfonyl-prop-2-ynyl-amino]but-2-ynoate

Systemtic Name: methyl 4-[(4-methylphenyl)sulfonyl-prop-2-ynyl-amino]but-2-ynoate Openeye Name: methyl 4-[prop-2-ynyl(p-tolylsulfonyl)amino]but-2-ynoate CAS Name: 4-[(4-methylphenyl)sulfonyl-prop-2-ynylamino]-2-butynoic acid methyl ester IUPAC Name: methyl 4-[(4-methylphenyl)sulfonyl-prop-2-ynylamino]but-2-ynoate Traditional Name: 4-[propargyl(tosyl)amino]but-2-ynoic acid methyl ester Formula: C15H15NO4S MolecularWeight: 305.3489

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO4S/c1-4-11-16(12-5-6-15(17)20-3)21(18,19)14-9-7-13(2)8-10-14/h1,7-10H,11-12H2,2-3H3