4-[4-[2-[(5-chloranyl-2-ethenyl-phenyl)sulfonylamino]ethyl]phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[2-[(5-chloranyl-2-ethenyl-phenyl)sulfonylamino]ethyl]phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[2-[(5-chloro-2-vinyl-phenyl)sulfonylamino]ethyl]phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-[2-[(5-chloro-2-ethenylphenyl)sulfonylamino]ethyl]phenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[2-[(5-chloro-2-ethenylphenyl)sulfonylamino]ethyl]phenyl]-4-oxobutanoic acid Traditional Name: 4-[4-[2-[(5-chloro-2-vinyl-phenyl)sulfonylamino]ethyl]phenyl]-4-keto-butyric acid Formula: C20H20ClNO5S MolecularWeight: 421.8945

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=C(C=C(C=C1)Cl)S(=O)(=O)NCCC2=CC=C(C=C2)C(=O)CCC(=O)O

Isomeric SMILES

C=CC1=C(C=C(C=C1)Cl)S(=O)(=O)NCCC2=CC=C(C=C2)C(=O)CCC(=O)O

InChI

InChI=1S/C20H20ClNO5S/c1-2-15-7-8-17(21)13-19(15)28(26,27)22-12-11-14-3-5-16(6-4-14)18(23)9-10-20(24)25/h2-8,13,22H,1,9-12H2,(H,24,25)