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

Systemtic Name: phenacyl 4-methylsulfanyl-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]butanoate Openeye Name: phenacyl 4-methylsulfanyl-2-(4-morpholinosulfonyl-2-nitro-anilino)butanoate CAS Name: 4-(methylthio)-2-[4-(4-morpholinylsulfonyl)-2-nitroanilino]butanoic acid phenacyl ester IUPAC Name: phenacyl 4-methylsulfanyl-2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)butanoate Traditional Name: 4-(methylthio)-2-(4-morpholinosulfonyl-2-nitro-anilino)butyric acid phenacyl ester Formula: C23H27N3O8S2 MolecularWeight: 537.60578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O8S2/c1-35-14-9-20(23(28)34-16-22(27)17-5-3-2-4-6-17)24-19-8-7-18(15-21(19)26(29)30)36(31,32)25-10-12-33-13-11-25/h2-8,15,20,24H,9-14,16H2,1H3