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

Systemtic Name: 8-(naphthalen-2-ylsulfonylamino)-3-(4-pyridin-3-ylbutyl)octanoic acid Openeye Name: 8-(2-naphthylsulfonylamino)-3-[4-(3-pyridyl)butyl]octanoic acid CAS Name: 8-(2-naphthalenylsulfonylamino)-3-[4-(3-pyridinyl)butyl]octanoic acid IUPAC Name: 8-(naphthalen-2-ylsulfonylamino)-3-(4-pyridin-3-ylbutyl)octanoic acid Traditional Name: 8-(2-naphthylsulfonylamino)-3-[4-(3-pyridyl)butyl]caprylic acid Formula: C27H34N2O4S MolecularWeight: 482.63486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCCCCC(CCCCC3=CN=CC=C3)CC(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCCCCC(CCCCC3=CN=CC=C3)CC(=O)O

InChI

InChI=1S/C27H34N2O4S/c30-27(31)19-22(10-3-4-11-23-12-8-17-28-21-23)9-2-1-7-18-29-34(32,33)26-16-15-24-13-5-6-14-25(24)20-26/h5-6,8,12-17,20-22,29H,1-4,7,9-11,18-19H2,(H,30,31)