methyl 3-[2-[furan-2-ylmethyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[2-[furan-2-ylmethyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[[2-[2-furylmethyl(p-tolylsulfonyl)amino]acetyl]amino]-3-phenyl-propanoate CAS Name: 3-[[2-[2-furanylmethyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-3-phenylpropanoate Traditional Name: 3-[[2-[2-furfuryl(tosyl)amino]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C24H26N2O6S MolecularWeight: 470.53804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CO2)CC(=O)NC(CC(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CO2)CC(=O)NC(CC(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C24H26N2O6S/c1-18-10-12-21(13-11-18)33(29,30)26(16-20-9-6-14-32-20)17-23(27)25-22(15-24(28)31-2)19-7-4-3-5-8-19/h3-14,22H,15-17H2,1-2H3,(H,25,27)