(phenylmethyl) 2-[2-[(2-methylphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) 2-[2-[(2-methylphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-3-phenyl-propanoate Openeye Name: benzyl 2-[[2-[2-methyl-N-(p-tolylsulfonyl)anilino]acetyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-(2-methyl-N-tosyl-anilino)acetyl]amino]-3-phenyl-propionic acid benzyl ester Formula: C32H32N2O5S MolecularWeight: 556.67188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4C

InChI

InChI=1S/C32H32N2O5S/c1-24-17-19-28(20-18-24)40(37,38)34(30-16-10-9-11-25(30)2)22-31(35)33-29(21-26-12-5-3-6-13-26)32(36)39-23-27-14-7-4-8-15-27/h3-20,29H,21-23H2,1-2H3,(H,33,35)