8-(naphthalen-1-ylsulfonylamino)-5-(2-pyridin-3-ylethyl)octanoic acid

Systemtic Name: 8-(naphthalen-1-ylsulfonylamino)-5-(2-pyridin-3-ylethyl)octanoic acid Openeye Name: 8-(1-naphthylsulfonylamino)-5-[2-(3-pyridyl)ethyl]octanoic acid CAS Name: 8-(1-naphthalenylsulfonylamino)-5-[2-(3-pyridinyl)ethyl]octanoic acid IUPAC Name: 8-(naphthalen-1-ylsulfonylamino)-5-(2-pyridin-3-ylethyl)octanoic acid Traditional Name: 8-(1-naphthylsulfonylamino)-5-[2-(3-pyridyl)ethyl]caprylic acid Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)NCCCC(CCCC(=O)O)CCC3=CN=CC=C3

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)NCCCC(CCCC(=O)O)CCC3=CN=CC=C3

InChI

InChI=1S/C25H30N2O4S/c28-25(29)14-3-7-20(15-16-21-9-5-17-26-19-21)8-6-18-27-32(30,31)24-13-4-11-22-10-1-2-12-23(22)24/h1-2,4-5,9-13,17,19-20,27H,3,6-8,14-16,18H2,(H,28,29)