(E)-8-(naphthalen-2-ylsulfonylamino)-4-(3-pyridin-3-ylpropyl)oct-2-enoic acid

Systemtic Name: (E)-8-(naphthalen-2-ylsulfonylamino)-4-(3-pyridin-3-ylpropyl)oct-2-enoic acid Openeye Name: (E)-8-(2-naphthylsulfonylamino)-4-[3-(3-pyridyl)propyl]oct-2-enoic acid CAS Name: (E)-8-(2-naphthalenylsulfonylamino)-4-[3-(3-pyridinyl)propyl]-2-octenoic acid IUPAC Name: (E)-8-(naphthalen-2-ylsulfonylamino)-4-(3-pyridin-3-ylpropyl)oct-2-enoic acid Traditional Name: (E)-8-(2-naphthylsulfonylamino)-4-[3-(3-pyridyl)propyl]oct-2-enoic acid Formula: C26H30N2O4S MolecularWeight: 466.5924

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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)C=CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O4S/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/h1-2,6,10-17,19-21,28H,3-5,7-9,18H2,(H,29,30)/b16-13+