(4-chlorophenyl)methyl 4-methylsulfanyl-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]butanoate

Systemtic Name: (4-chlorophenyl)methyl 4-methylsulfanyl-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]butanoate Openeye Name: (4-chlorophenyl)methyl 4-methylsulfanyl-2-(4-morpholinosulfonyl-2-nitro-anilino)butanoate CAS Name: 4-(methylthio)-2-[4-(4-morpholinylsulfonyl)-2-nitroanilino]butanoic acid (4-chlorophenyl)methyl ester IUPAC Name: (4-chlorophenyl)methyl 4-methylsulfanyl-2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)butanoate Traditional Name: 4-(methylthio)-2-(4-morpholinosulfonyl-2-nitro-anilino)butyric acid (4-chlorobenzyl) ester Formula: C22H26ClN3O7S2 MolecularWeight: 544.04074

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=CC=C(C=C1)Cl)NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CSCCC(C(=O)OCC1=CC=C(C=C1)Cl)NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H26ClN3O7S2/c1-34-13-8-20(22(27)33-15-16-2-4-17(23)5-3-16)24-19-7-6-18(14-21(19)26(28)29)35(30,31)25-9-11-32-12-10-25/h2-7,14,20,24H,8-13,15H2,1H3