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

Systemtic Name: methyl 4-[[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carbonyl]amino]benzoate CAS Name: 4-[[[1-(1H-imidazol-5-ylsulfonyl)-3-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carbonyl]amino]benzoate Traditional Name: 4-[[1-(1H-imidazol-5-ylsulfonyl)nipecotoyl]amino]benzoic acid methyl ester Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O5S/c1-26-17(23)12-4-6-14(7-5-12)20-16(22)13-3-2-8-21(10-13)27(24,25)15-9-18-11-19-15/h4-7,9,11,13H,2-3,8,10H2,1H3,(H,18,19)(H,20,22)