8-(phenylsulfonylamino)-3-(4-pyridin-3-ylbutyl)octanoic acid

Systemtic Name: 8-(phenylsulfonylamino)-3-(4-pyridin-3-ylbutyl)octanoic acid Openeye Name: 8-(benzenesulfonamido)-3-[4-(3-pyridyl)butyl]octanoic acid CAS Name: 8-(benzenesulfonamido)-3-[4-(3-pyridinyl)butyl]octanoic acid IUPAC Name: 8-(benzenesulfonamido)-3-(4-pyridin-3-ylbutyl)octanoic acid Traditional Name: 8-(benzenesulfonamido)-3-[4-(3-pyridyl)butyl]caprylic acid Formula: C23H32N2O4S MolecularWeight: 432.57618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NCCCCCC(CCCCC2=CN=CC=C2)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NCCCCCC(CCCCC2=CN=CC=C2)CC(=O)O

InChI

InChI=1S/C23H32N2O4S/c26-23(27)18-20(11-6-7-12-21-13-9-16-24-19-21)10-3-2-8-17-25-30(28,29)22-14-4-1-5-15-22/h1,4-5,9,13-16,19-20,25H,2-3,6-8,10-12,17-18H2,(H,26,27)