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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H27N3O5S/c1-2-15-30-22(27)17-5-7-18(8-6-17)23-16-21(26)24-19-9-11-20(12-10-19)31(28,29)25-13-3-4-14-25/h5-12,23H,2-4,13-16H2,1H3,(H,24,26)