methyl 3-(4-aminophenyl)-2-[(4-methylphenyl)sulfonyl-pyrrolidin-2-ylcarbonyl-amino]propanoate

Systemtic Name: methyl 3-(4-aminophenyl)-2-[(4-methylphenyl)sulfonyl-pyrrolidin-2-ylcarbonyl-amino]propanoate Openeye Name: methyl 3-(4-aminophenyl)-2-[p-tolylsulfonyl(pyrrolidine-2-carbonyl)amino]propanoate CAS Name: 3-(4-aminophenyl)-2-[(4-methylphenyl)sulfonyl-[oxo(2-pyrrolidinyl)methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(4-aminophenyl)-2-[(4-methylphenyl)sulfonyl-(pyrrolidine-2-carbonyl)amino]propanoate Traditional Name: 3-(4-aminophenyl)-2-[prolyl(tosyl)amino]propionic acid methyl ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C(CC2=CC=C(C=C2)N)C(=O)OC)C(=O)C3CCCN3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C(CC2=CC=C(C=C2)N)C(=O)OC)C(=O)C3CCCN3

InChI

InChI=1S/C22H27N3O5S/c1-15-5-11-18(12-6-15)31(28,29)25(21(26)19-4-3-13-24-19)20(22(27)30-2)14-16-7-9-17(23)10-8-16/h5-12,19-20,24H,3-4,13-14,23H2,1-2H3