(E)-6-[3-[2-(phenylsulfonylamino)ethyl]phenyl]-6-pyridin-3-yl-hex-5-enoic acid

Systemtic Name: (E)-6-[3-[2-(phenylsulfonylamino)ethyl]phenyl]-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (E)-6-[3-[2-(benzenesulfonamido)ethyl]phenyl]-6-(3-pyridyl)hex-5-enoic acid CAS Name: (E)-6-[3-[2-(benzenesulfonamido)ethyl]phenyl]-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (E)-6-[3-[2-(benzenesulfonamido)ethyl]phenyl]-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (E)-6-[3-[2-(benzenesulfonamido)ethyl]phenyl]-6-(3-pyridyl)hex-5-enoic acid Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=CC(=C2)C(=CCCCC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=CC(=C2)/C(=C\CCCC(=O)O)/C3=CN=CC=C3

InChI

InChI=1S/C25H26N2O4S/c28-25(29)14-5-4-13-24(22-10-7-16-26-19-22)21-9-6-8-20(18-21)15-17-27-32(30,31)23-11-2-1-3-12-23/h1-3,6-13,16,18-19,27H,4-5,14-15,17H2,(H,28,29)/b24-13+