[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 2,4,5-trimethoxybenzoate

Systemtic Name: [2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 2,4,5-trimethoxybenzoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2,4,5-trimethoxybenzoate CAS Name: 2,4,5-trimethoxybenzoic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2,4,5-trimethoxybenzoate Traditional Name: 2,4,5-trimethoxybenzoic acid [2-keto-2-(4-pyrrolidinosulfonylanilino)ethyl] ester Formula: C22H26N2O8S MolecularWeight: 478.51544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)OC)OC

InChI

InChI=1S/C22H26N2O8S/c1-29-18-13-20(31-3)19(30-2)12-17(18)22(26)32-14-21(25)23-15-6-8-16(9-7-15)33(27,28)24-10-4-5-11-24/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,23,25)