4-[4-[2-[(4-chlorophenyl)sulfonyl-methyl-amino]ethyl]phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[2-[(4-chlorophenyl)sulfonyl-methyl-amino]ethyl]phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[2-[(4-chlorophenyl)sulfonyl-methyl-amino]ethyl]phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-[2-[(4-chlorophenyl)sulfonyl-methylamino]ethyl]phenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[2-[(4-chlorophenyl)sulfonyl-methylamino]ethyl]phenyl]-4-oxobutanoic acid Traditional Name: 4-[4-[2-[(4-chlorophenyl)sulfonyl-methyl-amino]ethyl]phenyl]-4-keto-butyric acid Formula: C19H20ClNO5S MolecularWeight: 409.8838

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=C(C=C1)C(=O)CCC(=O)O)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CN(CCC1=CC=C(C=C1)C(=O)CCC(=O)O)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H20ClNO5S/c1-21(27(25,26)17-8-6-16(20)7-9-17)13-12-14-2-4-15(5-3-14)18(22)10-11-19(23)24/h2-9H,10-13H2,1H3,(H,23,24)