ethyl 3-[2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)ethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[4-(1-pyrrolidinylsulfonyl)-1-imidazolyl]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetyl]amino]benzoate Traditional Name: 3-[[2-(4-pyrrolidinosulfonylimidazol-1-yl)acetyl]amino]benzoic acid ethyl ester Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN2C=C(N=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN2C=C(N=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H22N4O5S/c1-2-27-18(24)14-6-5-7-15(10-14)20-16(23)11-21-12-17(19-13-21)28(25,26)22-8-3-4-9-22/h5-7,10,12-13H,2-4,8-9,11H2,1H3,(H,20,23)