3-[[3-[3-[(4-methylsulfonylphenyl)carbonylamino]propylsulfinylmethyl]phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[3-[3-[(4-methylsulfonylphenyl)carbonylamino]propylsulfinylmethyl]phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[3-[3-[(4-methylsulfonylbenzoyl)amino]propylsulfinylmethyl]phenyl]sulfonylamino]-4-oxo-butanoic acid CAS Name: 3-[[3-[3-[[(4-methylsulfonylphenyl)-oxomethyl]amino]propylsulfinylmethyl]phenyl]sulfonylamino]-4-oxobutanoic acid IUPAC Name: 3-[[3-[3-[(4-methylsulfonylbenzoyl)amino]propylsulfinylmethyl]phenyl]sulfonylamino]-4-oxobutanoic acid Traditional Name: 4-keto-3-[[3-[3-[(4-mesylbenzoyl)amino]propylsulfinylmethyl]phenyl]sulfonylamino]butyric acid Formula: C22H26N2O9S3 MolecularWeight: 558.64484

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)NCCCS(=O)CC2=CC(=CC=C2)S(=O)(=O)NC(CC(=O)O)C=O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)NCCCS(=O)CC2=CC(=CC=C2)S(=O)(=O)NC(CC(=O)O)C=O

InChI

InChI=1S/C22H26N2O9S3/c1-35(30,31)19-8-6-17(7-9-19)22(28)23-10-3-11-34(29)15-16-4-2-5-20(12-16)36(32,33)24-18(14-25)13-21(26)27/h2,4-9,12,14,18,24H,3,10-11,13,15H2,1H3,(H,23,28)(H,26,27)