(phenylmethyl) 3-bromanyl-2-[phenylsulfonyl(prop-2-ynyl)amino]propanoate

Systemtic Name: (phenylmethyl) 3-bromanyl-2-[phenylsulfonyl(prop-2-ynyl)amino]propanoate Openeye Name: benzyl 2-[benzenesulfonyl(prop-2-ynyl)amino]-3-bromo-propanoate CAS Name: 2-[benzenesulfonyl(prop-2-ynyl)amino]-3-bromopropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[benzenesulfonyl(prop-2-ynyl)amino]-3-bromopropanoate Traditional Name: 2-[besyl(propargyl)amino]-3-bromo-propionic acid benzyl ester Formula: C19H18BrNO4S MolecularWeight: 436.31952

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN(C(CBr)C(=O)OCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C#CCN(C(CBr)C(=O)OCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H18BrNO4S/c1-2-13-21(26(23,24)17-11-7-4-8-12-17)18(14-20)19(22)25-15-16-9-5-3-6-10-16/h1,3-12,18H,13-15H2