ethyl 3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carbonyl]amino]benzoate CAS Name: 3-[[[1-[(1-methyl-4-imidazolyl)sulfonyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carbonyl]amino]benzoate Traditional Name: 3-[[1-(1-methylimidazol-4-yl)sulfonylisonipecotoyl]amino]benzoic acid ethyl ester Formula: C19H24N4O5S MolecularWeight: 420.48266

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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(C=N3)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C=N3)C

InChI

InChI=1S/C19H24N4O5S/c1-3-28-19(25)15-5-4-6-16(11-15)21-18(24)14-7-9-23(10-8-14)29(26,27)17-12-22(2)13-20-17/h4-6,11-14H,3,7-10H2,1-2H3,(H,21,24)