methyl 3-[4-[[2-[(4-bromophenyl)sulfonylamino]-3-phenyl-propanoyl]amino]phenyl]propanoate

Systemtic Name: methyl 3-[4-[[2-[(4-bromophenyl)sulfonylamino]-3-phenyl-propanoyl]amino]phenyl]propanoate Openeye Name: methyl 3-[4-[[2-[(4-bromophenyl)sulfonylamino]-3-phenyl-propanoyl]amino]phenyl]propanoate CAS Name: 3-[4-[[2-[(4-bromophenyl)sulfonylamino]-1-oxo-3-phenylpropyl]amino]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[[2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanoyl]amino]phenyl]propanoate Traditional Name: 3-[4-[[2-(brosylamino)-3-phenyl-propanoyl]amino]phenyl]propionic acid methyl ester Formula: C25H25BrN2O5S MolecularWeight: 545.4454

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C25H25BrN2O5S/c1-33-24(29)16-9-18-7-12-21(13-8-18)27-25(30)23(17-19-5-3-2-4-6-19)28-34(31,32)22-14-10-20(26)11-15-22/h2-8,10-15,23,28H,9,16-17H2,1H3,(H,27,30)