[4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 3-(2-phenylethanoylamino)propanoate

Systemtic Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 3-(2-phenylethanoylamino)propanoate Openeye Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 3-[(2-phenylacetyl)amino]propanoate CAS Name: 3-[(1-oxo-2-phenylethyl)amino]propanoic acid [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] 3-[(2-phenylacetyl)amino]propanoate Traditional Name: 3-[(2-phenylacetyl)amino]propionic acid [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C26H28N2O5S MolecularWeight: 480.57592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)CCNC(=O)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)CCNC(=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C26H28N2O5S/c1-19-9-14-24(17-20(19)2)34(31,32)28(3)22-10-12-23(13-11-22)33-26(30)15-16-27-25(29)18-21-7-5-4-6-8-21/h4-14,17H,15-16,18H2,1-3H3,(H,27,29)