(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 3,5-bis[(4-ethoxyphenyl)sulfonylamino]benzoate

Systemtic Name: (2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 3,5-bis[(4-ethoxyphenyl)sulfonylamino]benzoate Openeye Name: (2-oxo-2-pyrrolidin-1-yl-ethyl) 3,5-bis[(4-ethoxyphenyl)sulfonylamino]benzoate CAS Name: 3,5-bis[(4-ethoxyphenyl)sulfonylamino]benzoic acid [2-oxo-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-2-pyrrolidin-1-ylethyl) 3,5-bis[(4-ethoxyphenyl)sulfonylamino]benzoate Traditional Name: 3,5-bis(p-phenetylsulfonylamino)benzoic acid (2-keto-2-pyrrolidino-ethyl) ester Formula: C29H33N3O9S2 MolecularWeight: 631.71702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC(=C2)C(=O)OCC(=O)N3CCCC3)NS(=O)(=O)C4=CC=C(C=C4)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC(=C2)C(=O)OCC(=O)N3CCCC3)NS(=O)(=O)C4=CC=C(C=C4)OCC

InChI

InChI=1S/C29H33N3O9S2/c1-3-39-24-7-11-26(12-8-24)42(35,36)30-22-17-21(29(34)41-20-28(33)32-15-5-6-16-32)18-23(19-22)31-43(37,38)27-13-9-25(10-14-27)40-4-2/h7-14,17-19,30-31H,3-6,15-16,20H2,1-2H3