ethyl 3-[[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 3-[[[1-(1H-imidazol-5-ylsulfonyl)-4-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carbonyl]amino]benzoate Traditional Name: 3-[[1-(1H-imidazol-5-ylsulfonyl)isonipecotoyl]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)C2CCN(CC2)S(=O)(=O)C3=CN=CN3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CN3

InChI

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