ethyl 4-(ethylamino)-3-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]sulfonylamino]benzoate

Systemtic Name: ethyl 4-(ethylamino)-3-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]sulfonylamino]benzoate Openeye Name: ethyl 4-(ethylamino)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoate CAS Name: 4-(ethylamino)-3-[[4-(2-oxo-1-pyrrolidinyl)phenyl]sulfonylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(ethylamino)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoate Traditional Name: 4-(ethylamino)-3-[[4-(2-ketopyrrolidino)phenyl]sulfonylamino]benzoic acid ethyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)OCC)NS(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)OCC)NS(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O

InChI

InChI=1S/C21H25N3O5S/c1-3-22-18-12-7-15(21(26)29-4-2)14-19(18)23-30(27,28)17-10-8-16(9-11-17)24-13-5-6-20(24)25/h7-12,14,22-23H,3-6,13H2,1-2H3