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

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 3,5-bis[(4-ethoxyphenyl)sulfonylamino]benzoate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 3,5-bis[(4-ethoxyphenyl)sulfonylamino]benzoate CAS Name: 3,5-bis[(4-ethoxyphenyl)sulfonylamino]benzoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 3,5-bis[(4-ethoxyphenyl)sulfonylamino]benzoate Traditional Name: 3,5-bis(p-phenetylsulfonylamino)benzoic acid (2-keto-2-piperidino-ethyl) ester Formula: C30H35N3O9S2 MolecularWeight: 645.7436

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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)N3CCCCC3)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)N3CCCCC3)NS(=O)(=O)C4=CC=C(C=C4)OCC

InChI

InChI=1S/C30H35N3O9S2/c1-3-40-25-8-12-27(13-9-25)43(36,37)31-23-18-22(30(35)42-21-29(34)33-16-6-5-7-17-33)19-24(20-23)32-44(38,39)28-14-10-26(11-15-28)41-4-2/h8-15,18-20,31-32H,3-7,16-17,21H2,1-2H3