2-[3-[[(4-dimethylaminophenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[[(4-dimethylaminophenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[(4-dimethylaminophenyl)methyl-(3-pyridylsulfonyl)amino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[(4-dimethylaminophenyl)methyl-(3-pyridinylsulfonyl)amino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[(4-dimethylaminophenyl)methyl-pyridin-3-ylsulfonylamino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[[4-(dimethylamino)benzyl]-(3-pyridylsulfonyl)amino]methyl]phenyl]acetic acid Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN(CC2=CC=CC(=C2)CC(=O)O)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CN(CC2=CC=CC(=C2)CC(=O)O)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C23H25N3O4S/c1-25(2)21-10-8-18(9-11-21)16-26(31(29,30)22-7-4-12-24-15-22)17-20-6-3-5-19(13-20)14-23(27)28/h3-13,15H,14,16-17H2,1-2H3,(H,27,28)