[2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 4-(2-azanyl-2-oxidanylidene-ethoxy)benzoate

Systemtic Name: [2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 4-(2-azanyl-2-oxidanylidene-ethoxy)benzoate Openeye Name: [2-(2-methylsulfonylanilino)-2-oxo-ethyl] 4-(2-amino-2-oxo-ethoxy)benzoate CAS Name: 4-(2-amino-2-oxoethoxy)benzoic acid [2-(2-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfonylanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate Traditional Name: 4-(2-amino-2-keto-ethoxy)benzoic acid [2-keto-2-(2-mesylanilino)ethyl] ester Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=CC=C(C=C2)OCC(=O)N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=CC=C(C=C2)OCC(=O)N

InChI

InChI=1S/C18H18N2O7S/c1-28(24,25)15-5-3-2-4-14(15)20-17(22)11-27-18(23)12-6-8-13(9-7-12)26-10-16(19)21/h2-9H,10-11H2,1H3,(H2,19,21)(H,20,22)