[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-keto-2-(3,4,5-trimethoxyanilino)ethyl] ester Formula: C22H26N2O8S MolecularWeight: 478.51544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

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