3-phenyl-4-[4-[2-[3-(pyridin-2-ylmethylamino)phenyl]ethyl]phenyl]sulfonyl-butanoic acid

Systemtic Name: 3-phenyl-4-[4-[2-[3-(pyridin-2-ylmethylamino)phenyl]ethyl]phenyl]sulfonyl-butanoic acid Openeye Name: 3-phenyl-4-[4-[2-[3-(2-pyridylmethylamino)phenyl]ethyl]phenyl]sulfonyl-butanoic acid CAS Name: 3-phenyl-4-[4-[2-[3-(2-pyridinylmethylamino)phenyl]ethyl]phenyl]sulfonylbutanoic acid IUPAC Name: 3-phenyl-4-[4-[2-[3-(pyridin-2-ylmethylamino)phenyl]ethyl]phenyl]sulfonylbutanoic acid Traditional Name: 3-phenyl-4-[4-[2-[3-(2-pyridylmethylamino)phenyl]ethyl]phenyl]sulfonyl-butyric acid Formula: C30H30N2O4S MolecularWeight: 514.6352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)CS(=O)(=O)C2=CC=C(C=C2)CCC3=CC(=CC=C3)NCC4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)CS(=O)(=O)C2=CC=C(C=C2)CCC3=CC(=CC=C3)NCC4=CC=CC=N4

InChI

InChI=1S/C30H30N2O4S/c33-30(34)20-26(25-8-2-1-3-9-25)22-37(35,36)29-16-14-23(15-17-29)12-13-24-7-6-11-27(19-24)32-21-28-10-4-5-18-31-28/h1-11,14-19,26,32H,12-13,20-22H2,(H,33,34)