5-[[2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]phenyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[[2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]phenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]anilino]-5-oxo-pentanoate CAS Name: 5-[2-[2-(4-chlorophenyl)sulfonylethylthio]anilino]-5-oxopentanoate IUPAC Name: 5-[2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]anilino]-5-oxopentanoate Traditional Name: 5-[2-[2-(4-chlorophenyl)sulfonylethylthio]anilino]-5-keto-valerate Formula: C19H19ClNO5S2- MolecularWeight: 440.94086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCCC(=O)[O-])SCCS(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCCC(=O)[O-])SCCS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H20ClNO5S2/c20-14-8-10-15(11-9-14)28(25,26)13-12-27-17-5-2-1-4-16(17)21-18(22)6-3-7-19(23)24/h1-2,4-5,8-11H,3,6-7,12-13H2,(H,21,22)(H,23,24)/p-1