8-(naphthalen-2-ylsulfonylamino)-4-(3-pyridin-3-ylpropyl)octanoic acid

Systemtic Name: 8-(naphthalen-2-ylsulfonylamino)-4-(3-pyridin-3-ylpropyl)octanoic acid Openeye Name: 8-(2-naphthylsulfonylamino)-4-[3-(3-pyridyl)propyl]octanoic acid CAS Name: 8-(2-naphthalenylsulfonylamino)-4-[3-(3-pyridinyl)propyl]octanoic acid IUPAC Name: 8-(naphthalen-2-ylsulfonylamino)-4-(3-pyridin-3-ylpropyl)octanoic acid Traditional Name: 8-(2-naphthylsulfonylamino)-4-[3-(3-pyridyl)propyl]caprylic acid Formula: C26H32N2O4S MolecularWeight: 468.60828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCCCC(CCCC3=CN=CC=C3)CCC(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCCCC(CCCC3=CN=CC=C3)CCC(=O)O

InChI

InChI=1S/C26H32N2O4S/c29-26(30)16-13-21(8-5-9-22-10-6-17-27-20-22)7-3-4-18-28-33(31,32)25-15-14-23-11-1-2-12-24(23)19-25/h1-2,6,10-12,14-15,17,19-21,28H,3-5,7-9,13,16,18H2,(H,29,30)