ethyl 3-[4-(2-aminophenyl)-3-azanyl-2-(4-methoxyphenyl)-5-methylsulfonyl-phenyl]propanoate

Systemtic Name: ethyl 3-[4-(2-aminophenyl)-3-azanyl-2-(4-methoxyphenyl)-5-methylsulfonyl-phenyl]propanoate Openeye Name: ethyl 3-[3-amino-4-(2-aminophenyl)-2-(4-methoxyphenyl)-5-methylsulfonyl-phenyl]propanoate CAS Name: 3-[3-amino-4-(2-aminophenyl)-2-(4-methoxyphenyl)-5-methylsulfonylphenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-amino-4-(2-aminophenyl)-2-(4-methoxyphenyl)-5-methylsulfonylphenyl]propanoate Traditional Name: 3-[3-amino-4-(2-aminophenyl)-5-mesyl-2-(4-methoxyphenyl)phenyl]propionic acid ethyl ester Formula: C25H28N2O5S MolecularWeight: 468.56522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC(=C(C(=C1C2=CC=C(C=C2)OC)N)C3=CC=CC=C3N)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)CCC1=CC(=C(C(=C1C2=CC=C(C=C2)OC)N)C3=CC=CC=C3N)S(=O)(=O)C

InChI

InChI=1S/C25H28N2O5S/c1-4-32-22(28)14-11-17-15-21(33(3,29)30)24(19-7-5-6-8-20(19)26)25(27)23(17)16-9-12-18(31-2)13-10-16/h5-10,12-13,15H,4,11,14,26-27H2,1-3H3