ethyl 3-[[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carbonyl]amino]benzoate CAS Name: 3-[[[1-(1H-imidazol-5-ylsulfonyl)-3-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carbonyl]amino]benzoate Traditional Name: 3-[[1-(1H-imidazol-5-ylsulfonyl)nipecotoyl]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)C2CCCN(C2)S(=O)(=O)C3=CN=CN3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CN=CN3

InChI

InChI=1S/C18H22N4O5S/c1-2-27-18(24)13-5-3-7-15(9-13)21-17(23)14-6-4-8-22(11-14)28(25,26)16-10-19-12-20-16/h3,5,7,9-10,12,14H,2,4,6,8,11H2,1H3,(H,19,20)(H,21,23)