methyl 2-[methyl-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[methyl-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl 2-[methyl-[2-[methyl(p-tolylsulfonyl)amino]acetyl]amino]-3-phenyl-propanoate CAS Name: 2-[methyl-[2-[methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[methyl-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-3-phenylpropanoate Traditional Name: 2-[methyl-[2-[methyl(tosyl)amino]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)N(C)C(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)N(C)C(CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C21H26N2O5S/c1-16-10-12-18(13-11-16)29(26,27)22(2)15-20(24)23(3)19(21(25)28-4)14-17-8-6-5-7-9-17/h5-13,19H,14-15H2,1-4H3