methyl 3-[[4-[(2-methylphenyl)sulfamoyl]phenyl]carbonylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[[4-[(2-methylphenyl)sulfamoyl]phenyl]carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[4-(o-tolylsulfamoyl)benzoyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[[4-[(2-methylphenyl)sulfamoyl]phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[4-(o-tolylsulfamoyl)benzoyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C22H22N2O5S2 MolecularWeight: 458.55048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)NC(CC(=O)OC)C3=CC=CS3

Isomeric SMILES

CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)NC(CC(=O)OC)C3=CC=CS3

InChI

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