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

Systemtic Name: (E)-6-[3-[3-(phenylsulfonylamino)propyl]phenyl]-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (E)-6-[3-[3-(benzenesulfonamido)propyl]phenyl]-6-(3-pyridyl)hex-5-enoic acid CAS Name: (E)-6-[3-[3-(benzenesulfonamido)propyl]phenyl]-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (E)-6-[3-[3-(benzenesulfonamido)propyl]phenyl]-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (E)-6-[3-[3-(benzenesulfonamido)propyl]phenyl]-6-(3-pyridyl)hex-5-enoic acid Formula: C26H28N2O4S MolecularWeight: 464.57652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NCCCC2=CC=CC(=C2)C(=CCCCC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NCCCC2=CC=CC(=C2)/C(=C\CCCC(=O)O)/C3=CN=CC=C3

InChI

InChI=1S/C26H28N2O4S/c29-26(30)16-5-4-15-25(23-12-8-17-27-20-23)22-11-6-9-21(19-22)10-7-18-28-33(31,32)24-13-2-1-3-14-24/h1-3,6,8-9,11-15,17,19-20,28H,4-5,7,10,16,18H2,(H,29,30)/b25-15+