[1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(oxolan-2-ylmethylsulfamoyl)benzoate

Systemtic Name: [1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(oxolan-2-ylmethylsulfamoyl)benzoate Openeye Name: [1-methyl-2-(3-methylanilino)-2-oxo-ethyl] 4-(tetrahydrofuran-2-ylmethylsulfamoyl)benzoate CAS Name: 4-(2-oxolanylmethylsulfamoyl)benzoic acid [1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-methylanilino)-1-oxopropan-2-yl] 4-(oxolan-2-ylmethylsulfamoyl)benzoate Traditional Name: 4-(tetrahydrofurfurylsulfamoyl)benzoic acid [2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3CCCO3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3CCCO3

InChI

InChI=1S/C22H26N2O6S/c1-15-5-3-6-18(13-15)24-21(25)16(2)30-22(26)17-8-10-20(11-9-17)31(27,28)23-14-19-7-4-12-29-19/h3,5-6,8-11,13,16,19,23H,4,7,12,14H2,1-2H3,(H,24,25)