3-[4-[3-[(pyridin-2-ylamino)methyl]phenyl]phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate

Systemtic Name: 3-[4-[3-[(pyridin-2-ylamino)methyl]phenyl]phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate Openeye Name: 3-[4-[3-[(2-pyridylamino)methyl]phenyl]phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate CAS Name: 3-[4-[3-[(2-pyridinylamino)methyl]phenyl]phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate IUPAC Name: 3-[4-[3-[(pyridin-2-ylamino)methyl]phenyl]phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate Traditional Name: 2-(mesitylsulfonylamino)-3-[4-[3-[(2-pyridylamino)methyl]phenyl]phenyl]propionate Formula: C30H30N3O4S- MolecularWeight: 528.6419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(CC2=CC=C(C=C2)C3=CC(=CC=C3)CNC4=CC=CC=N4)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(CC2=CC=C(C=C2)C3=CC(=CC=C3)CNC4=CC=CC=N4)C(=O)[O-])C

InChI

InChI=1S/C30H31N3O4S/c1-20-15-21(2)29(22(3)16-20)38(36,37)33-27(30(34)35)18-23-10-12-25(13-11-23)26-8-6-7-24(17-26)19-32-28-9-4-5-14-31-28/h4-17,27,33H,18-19H2,1-3H3,(H,31,32)(H,34,35)/p-1