dimethyl 5-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[1-(8-quinolylsulfonyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[oxo-[1-(8-quinolinylsulfonyl)-4-piperidinyl]methyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(1-quinolin-8-ylsulfonylpiperidine-4-carbonyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[1-(8-quinolylsulfonyl)isonipecotoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C25H25N3O7S MolecularWeight: 511.5469

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)C(=O)OC

InChI

InChI=1S/C25H25N3O7S/c1-34-24(30)18-13-19(25(31)35-2)15-20(14-18)27-23(29)17-8-11-28(12-9-17)36(32,33)21-7-3-5-16-6-4-10-26-22(16)21/h3-7,10,13-15,17H,8-9,11-12H2,1-2H3,(H,27,29)