4-methylsulfanyl-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]butanoic acid hydrochloride

Systemtic Name: 4-methylsulfanyl-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]butanoic acid hydrochloride Openeye Name: 4-methylsulfanyl-2-(4-morpholinosulfonyl-2-nitro-anilino)butanoic acid hydrochloride CAS Name: 4-(methylthio)-2-[4-(4-morpholinylsulfonyl)-2-nitroanilino]butanoic acid hydrochloride IUPAC Name: 4-methylsulfanyl-2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)butanoic acid hydrochloride Traditional Name: 4-(methylthio)-2-(4-morpholinosulfonyl-2-nitro-anilino)butyric acid hydrochloride Formula: C15H22ClN3O7S2 MolecularWeight: 455.93408

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-].Cl

Isomeric SMILES

CSCCC(C(=O)O)NC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-].Cl

InChI

InChI=1S/C15H21N3O7S2.ClH/c1-26-9-4-13(15(19)20)16-12-3-2-11(10-14(12)18(21)22)27(23,24)17-5-7-25-8-6-17;/h2-3,10,13,16H,4-9H2,1H3,(H,19,20);1H