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

Systemtic Name: (phenylmethyl) 2-[2-[[2-(4-methylphenyl)sulfonylphenyl]amino]ethanoylamino]-3-phenyl-propanoate Openeye Name: benzyl 3-phenyl-2-[[2-[2-(p-tolylsulfonyl)anilino]acetyl]amino]propanoate CAS Name: 2-[[2-[2-(4-methylphenyl)sulfonylanilino]-1-oxoethyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-[2-(4-methylphenyl)sulfonylanilino]acetyl]amino]-3-phenylpropanoate Traditional Name: 3-phenyl-2-[[2-(2-tosylanilino)acetyl]amino]propionic acid benzyl ester Formula: C31H30N2O5S MolecularWeight: 542.6453

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2NCC(=O)NC(CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2NCC(=O)NC(CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C31H30N2O5S/c1-23-16-18-26(19-17-23)39(36,37)29-15-9-8-14-27(29)32-21-30(34)33-28(20-24-10-4-2-5-11-24)31(35)38-22-25-12-6-3-7-13-25/h2-19,28,32H,20-22H2,1H3,(H,33,34)