2-[3-[[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl-pyridin-3-ylsulfonyl-amino]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl-pyridin-3-ylsulfonyl-amino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl-(3-pyridylsulfonyl)amino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl-(3-pyridinylsulfonyl)amino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl-pyridin-3-ylsulfonylamino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[[4-(2-ketopyrrolidino)benzyl]-(3-pyridylsulfonyl)amino]methyl]phenyl]acetic acid Formula: C25H25N3O5S MolecularWeight: 479.5481

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)CN(CC3=CC=CC(=C3)CC(=O)O)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)CN(CC3=CC=CC(=C3)CC(=O)O)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C25H25N3O5S/c29-24-7-3-13-28(24)22-10-8-19(9-11-22)17-27(34(32,33)23-6-2-12-26-16-23)18-21-5-1-4-20(14-21)15-25(30)31/h1-2,4-6,8-12,14,16H,3,7,13,15,17-18H2,(H,30,31)