4-naphthalen-2-yl-3-[[3-[4-(pyridin-2-ylamino)butoxy]phenyl]sulfonylamino]butanoic acid

Systemtic Name: 4-naphthalen-2-yl-3-[[3-[4-(pyridin-2-ylamino)butoxy]phenyl]sulfonylamino]butanoic acid Openeye Name: 4-(2-naphthyl)-3-[[3-[4-(2-pyridylamino)butoxy]phenyl]sulfonylamino]butanoic acid CAS Name: 4-(2-naphthalenyl)-3-[[3-[4-(2-pyridinylamino)butoxy]phenyl]sulfonylamino]butanoic acid IUPAC Name: 4-naphthalen-2-yl-3-[[3-[4-(pyridin-2-ylamino)butoxy]phenyl]sulfonylamino]butanoic acid Traditional Name: 4-(2-naphthyl)-3-[[3-[4-(2-pyridylamino)butoxy]phenyl]sulfonylamino]butyric acid Formula: C29H31N3O5S MolecularWeight: 533.63854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CC(CC(=O)O)NS(=O)(=O)C3=CC=CC(=C3)OCCCCNC4=CC=CC=N4

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CC(CC(=O)O)NS(=O)(=O)C3=CC=CC(=C3)OCCCCNC4=CC=CC=N4

InChI

InChI=1S/C29H31N3O5S/c33-29(34)20-25(19-22-13-14-23-8-1-2-9-24(23)18-22)32-38(35,36)27-11-7-10-26(21-27)37-17-6-5-16-31-28-12-3-4-15-30-28/h1-4,7-15,18,21,25,32H,5-6,16-17,19-20H2,(H,30,31)(H,33,34)