methyl 3-[[2-(2-chlorophenyl)ethanoylamino]methyl]-5-(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: methyl 3-[[2-(2-chlorophenyl)ethanoylamino]methyl]-5-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: methyl 3-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-5-(2-thienylsulfonylamino)benzoate CAS Name: 3-[[[2-(2-chlorophenyl)-1-oxoethyl]amino]methyl]-5-(thiophen-2-ylsulfonylamino)benzoic acid methyl ester IUPAC Name: methyl 3-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-5-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 3-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-5-(2-thienylsulfonylamino)benzoic acid methyl ester Formula: C21H19ClN2O5S2 MolecularWeight: 478.96896

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=CS2)CNC(=O)CC3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=CS2)CNC(=O)CC3=CC=CC=C3Cl

InChI

InChI=1S/C21H19ClN2O5S2/c1-29-21(26)16-9-14(13-23-19(25)12-15-5-2-3-6-18(15)22)10-17(11-16)24-31(27,28)20-7-4-8-30-20/h2-11,24H,12-13H2,1H3,(H,23,25)