methyl 2-(2-oxidanylidene-2-phenylazanyl-ethoxy)-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: methyl 2-(2-oxidanylidene-2-phenylazanyl-ethoxy)-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: methyl 2-(2-anilino-2-oxo-ethoxy)-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-(2-anilino-2-oxoethoxy)-5-(1-pyrrolidinylsulfonyl)benzoic acid methyl ester IUPAC Name: methyl 2-(2-anilino-2-oxoethoxy)-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-(2-anilino-2-keto-ethoxy)-5-pyrrolidinosulfonyl-benzoic acid methyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)OCC(=O)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)OCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O6S/c1-27-20(24)17-13-16(29(25,26)22-11-5-6-12-22)9-10-18(17)28-14-19(23)21-15-7-3-2-4-8-15/h2-4,7-10,13H,5-6,11-12,14H2,1H3,(H,21,23)