methyl (3S)-3-(4-methoxyphenyl)-3-[3-[(4-methylphenyl)sulfonylamino]propylamino]propanoate

Systemtic Name: methyl (3S)-3-(4-methoxyphenyl)-3-[3-[(4-methylphenyl)sulfonylamino]propylamino]propanoate Openeye Name: methyl (3S)-3-(4-methoxyphenyl)-3-[3-(p-tolylsulfonylamino)propylamino]propanoate CAS Name: (3S)-3-(4-methoxyphenyl)-3-[3-[(4-methylphenyl)sulfonylamino]propylamino]propanoic acid methyl ester IUPAC Name: methyl (3S)-3-(4-methoxyphenyl)-3-[3-[(4-methylphenyl)sulfonylamino]propylamino]propanoate Traditional Name: (3S)-3-(4-methoxyphenyl)-3-[3-(tosylamino)propylamino]propionic acid methyl ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCNC(CC(=O)OC)C2=CC=C(C=C2)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCN[C@@H](CC(=O)OC)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H28N2O5S/c1-16-5-11-19(12-6-16)29(25,26)23-14-4-13-22-20(15-21(24)28-3)17-7-9-18(27-2)10-8-17/h5-12,20,22-23H,4,13-15H2,1-3H3/t20-/m0/s1