4-methylsulfanyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[(3-morpholinosulfonylbenzoyl)amino]butanoic acid CAS Name: 4-(methylthio)-2-[[[3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid Traditional Name: 4-(methylthio)-2-[(3-morpholinosulfonylbenzoyl)amino]butyric acid Formula: C16H22N2O6S2 MolecularWeight: 402.48568

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C16H22N2O6S2/c1-25-10-5-14(16(20)21)17-15(19)12-3-2-4-13(11-12)26(22,23)18-6-8-24-9-7-18/h2-4,11,14H,5-10H2,1H3,(H,17,19)(H,20,21)