ethyl 4-[[1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl]amino]benzoate

Systemtic Name: ethyl 4-[[1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl]amino]benzoate Openeye Name: ethyl 4-[[1-methyl-2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]amino]benzoate CAS Name: 4-[[1-oxo-1-[4-(1-pyrrolidinylsulfonyl)anilino]propan-2-yl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl]amino]benzoate Traditional Name: 4-[[2-keto-1-methyl-2-(4-pyrrolidinosulfonylanilino)ethyl]amino]benzoic acid ethyl ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H27N3O5S/c1-3-30-22(27)17-6-8-18(9-7-17)23-16(2)21(26)24-19-10-12-20(13-11-19)31(28,29)25-14-4-5-15-25/h6-13,16,23H,3-5,14-15H2,1-2H3,(H,24,26)