(E)-8-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-8-pyridin-3-yl-oct-2-enoic acid

Systemtic Name: (E)-8-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-8-pyridin-3-yl-oct-2-enoic acid Openeye Name: (E)-8-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-8-(3-pyridyl)oct-2-enoic acid CAS Name: (E)-8-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-8-(3-pyridinyl)-2-octenoic acid IUPAC Name: (E)-8-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-8-pyridin-3-yloct-2-enoic acid Traditional Name: (E)-8-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-8-(3-pyridyl)oct-2-enoic acid Formula: C25H25ClN2O4S MolecularWeight: 484.995

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)Cl)C(CCCCC=CC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)Cl)C(CCCC/C=C/C(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C25H25ClN2O4S/c26-21-12-14-23(15-13-21)33(31,32)28-22-9-5-7-19(17-22)24(20-8-6-16-27-18-20)10-3-1-2-4-11-25(29)30/h4-9,11-18,24,28H,1-3,10H2,(H,29,30)/b11-4+