methyl 2-[(1-quinolin-8-ylsulfonylpiperidin-3-yl)carbonylamino]benzoate

Systemtic Name: methyl 2-[(1-quinolin-8-ylsulfonylpiperidin-3-yl)carbonylamino]benzoate Openeye Name: methyl 2-[[1-(8-quinolylsulfonyl)piperidine-3-carbonyl]amino]benzoate CAS Name: 2-[[oxo-[1-(8-quinolinylsulfonyl)-3-piperidinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(1-quinolin-8-ylsulfonylpiperidine-3-carbonyl)amino]benzoate Traditional Name: 2-[[1-(8-quinolylsulfonyl)nipecotoyl]amino]benzoic acid methyl ester Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C23H23N3O5S/c1-31-23(28)18-10-2-3-11-19(18)25-22(27)17-9-6-14-26(15-17)32(29,30)20-12-4-7-16-8-5-13-24-21(16)20/h2-5,7-8,10-13,17H,6,9,14-15H2,1H3,(H,25,27)