(4-chlorophenyl)methyl 4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate

Systemtic Name: (4-chlorophenyl)methyl 4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate Openeye Name: (4-chlorophenyl)methyl 4-methylsulfanyl-2-[[(E)-styryl]sulfonylamino]butanoate CAS Name: 4-(methylthio)-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoic acid (4-chlorophenyl)methyl ester IUPAC Name: (4-chlorophenyl)methyl 4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate Traditional Name: 4-(methylthio)-2-[[(E)-styryl]sulfonylamino]butyric acid (4-chlorobenzyl) ester Formula: C20H22ClNO4S2 MolecularWeight: 439.97598

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=CC=C(C=C1)Cl)NS(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)OCC1=CC=C(C=C1)Cl)NS(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C20H22ClNO4S2/c1-27-13-11-19(20(23)26-15-17-7-9-18(21)10-8-17)22-28(24,25)14-12-16-5-3-2-4-6-16/h2-10,12,14,19,22H,11,13,15H2,1H3/b14-12+