3-[[3-[3-[(5-methylsulfonylthiophen-2-yl)carbonylamino]propylsulfanylmethyl]phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[3-[3-[(5-methylsulfonylthiophen-2-yl)carbonylamino]propylsulfanylmethyl]phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[3-[3-[(5-methylsulfonylthiophene-2-carbonyl)amino]propylsulfanylmethyl]phenyl]sulfonylamino]-4-oxo-butanoic acid CAS Name: 3-[[3-[[3-[[(5-methylsulfonyl-2-thiophenyl)-oxomethyl]amino]propylthio]methyl]phenyl]sulfonylamino]-4-oxobutanoic acid IUPAC Name: 3-[[3-[3-[(5-methylsulfonylthiophene-2-carbonyl)amino]propylsulfanylmethyl]phenyl]sulfonylamino]-4-oxobutanoic acid Traditional Name: 4-keto-3-[[3-[[3-[(5-mesylthiophene-2-carbonyl)amino]propylthio]methyl]phenyl]sulfonylamino]butyric acid Formula: C20H24N2O8S4 MolecularWeight: 548.67316

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(S1)C(=O)NCCCSCC2=CC(=CC=C2)S(=O)(=O)NC(CC(=O)O)C=O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(S1)C(=O)NCCCSCC2=CC(=CC=C2)S(=O)(=O)NC(CC(=O)O)C=O

InChI

InChI=1S/C20H24N2O8S4/c1-33(27,28)19-7-6-17(32-19)20(26)21-8-3-9-31-13-14-4-2-5-16(10-14)34(29,30)22-15(12-23)11-18(24)25/h2,4-7,10,12,15,22H,3,8-9,11,13H2,1H3,(H,21,26)(H,24,25)