propan-2-yl 3-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: propan-2-yl 3-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-3-phenyl-propanoate Openeye Name: isopropyl 3-[[2-[methyl(p-tolylsulfonyl)amino]acetyl]amino]-3-phenyl-propanoate CAS Name: 3-[[2-[methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]-3-phenylpropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-3-phenylpropanoate Traditional Name: 3-[[2-[methyl(tosyl)amino]acetyl]amino]-3-phenyl-propionic acid isopropyl ester Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC(CC(=O)OC(C)C)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC(CC(=O)OC(C)C)C2=CC=CC=C2

InChI

InChI=1S/C22H28N2O5S/c1-16(2)29-22(26)14-20(18-8-6-5-7-9-18)23-21(25)15-24(4)30(27,28)19-12-10-17(3)11-13-19/h5-13,16,20H,14-15H2,1-4H3,(H,23,25)