[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[methyl(p-tolylsulfonyl)amino]acetate CAS Name: 2-[methyl-(4-methylphenyl)sulfonylamino]acetic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate Traditional Name: 2-[methyl(tosyl)amino]acetic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC(=O)C2=CC=CN2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC(=O)C2=CC=CN2

InChI

InChI=1S/C16H18N2O5S/c1-12-5-7-13(8-6-12)24(21,22)18(2)10-16(20)23-11-15(19)14-4-3-9-17-14/h3-9,17H,10-11H2,1-2H3