methyl 4-[[3-(thiophen-2-ylsulfonylamino)propanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[3-(thiophen-2-ylsulfonylamino)propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[3-(2-thienylsulfonylamino)propanoylamino]methyl]benzoate CAS Name: 4-[[[1-oxo-3-(thiophen-2-ylsulfonylamino)propyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(thiophen-2-ylsulfonylamino)propanoylamino]methyl]benzoate Traditional Name: 4-[[3-(2-thienylsulfonylamino)propanoylamino]methyl]benzoic acid methyl ester Formula: C16H18N2O5S2 MolecularWeight: 382.45452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CCNS(=O)(=O)C2=CC=CS2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CCNS(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C16H18N2O5S2/c1-23-16(20)13-6-4-12(5-7-13)11-17-14(19)8-9-18-25(21,22)15-3-2-10-24-15/h2-7,10,18H,8-9,11H2,1H3,(H,17,19)