methyl 2-[[3-[3-[(5-methylsulfonylthiophen-2-yl)carbonylamino]propylsulfanylmethyl]phenyl]sulfonylamino]butanoate

Systemtic Name: methyl 2-[[3-[3-[(5-methylsulfonylthiophen-2-yl)carbonylamino]propylsulfanylmethyl]phenyl]sulfonylamino]butanoate Openeye Name: methyl 2-[[3-[3-[(5-methylsulfonylthiophene-2-carbonyl)amino]propylsulfanylmethyl]phenyl]sulfonylamino]butanoate CAS Name: 2-[[3-[[3-[[(5-methylsulfonyl-2-thiophenyl)-oxomethyl]amino]propylthio]methyl]phenyl]sulfonylamino]butanoic acid methyl ester IUPAC Name: methyl 2-[[3-[3-[(5-methylsulfonylthiophene-2-carbonyl)amino]propylsulfanylmethyl]phenyl]sulfonylamino]butanoate Traditional Name: 2-[[3-[[3-[(5-mesylthiophene-2-carbonyl)amino]propylthio]methyl]phenyl]sulfonylamino]butyric acid methyl ester Formula: C21H28N2O7S4 MolecularWeight: 548.71622

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)NS(=O)(=O)C1=CC=CC(=C1)CSCCCNC(=O)C2=CC=C(S2)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)OC)NS(=O)(=O)C1=CC=CC(=C1)CSCCCNC(=O)C2=CC=C(S2)S(=O)(=O)C

InChI

InChI=1S/C21H28N2O7S4/c1-4-17(21(25)30-2)23-34(28,29)16-8-5-7-15(13-16)14-31-12-6-11-22-20(24)18-9-10-19(32-18)33(3,26)27/h5,7-10,13,17,23H,4,6,11-12,14H2,1-3H3,(H,22,24)