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

Systemtic Name: methyl 3-[[2-(2-methylphenyl)ethanoylamino]methyl]-5-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: methyl 3-[[[2-(o-tolyl)acetyl]amino]methyl]-5-(2-thienylsulfonylamino)benzoate CAS Name: 3-[[[2-(2-methylphenyl)-1-oxoethyl]amino]methyl]-5-(thiophen-2-ylsulfonylamino)benzoic acid methyl ester IUPAC Name: methyl 3-[[[2-(2-methylphenyl)acetyl]amino]methyl]-5-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 3-[[[2-(o-tolyl)acetyl]amino]methyl]-5-(2-thienylsulfonylamino)benzoic acid methyl ester Formula: C22H22N2O5S2 MolecularWeight: 458.55048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)NCC2=CC(=CC(=C2)C(=O)OC)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=CC=C1CC(=O)NCC2=CC(=CC(=C2)C(=O)OC)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C22H22N2O5S2/c1-15-6-3-4-7-17(15)13-20(25)23-14-16-10-18(22(26)29-2)12-19(11-16)24-31(27,28)21-8-5-9-30-21/h3-12,24H,13-14H2,1-2H3,(H,23,25)