dimethyl 5-[[1-[(3-bromophenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[1-[(3-bromophenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[1-[(3-bromophenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[1-(3-bromobenzyl)sulfonylisonipecotoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H25BrN2O7S MolecularWeight: 553.4228

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br)C(=O)OC

InChI

InChI=1S/C23H25BrN2O7S/c1-32-22(28)17-11-18(23(29)33-2)13-20(12-17)25-21(27)16-6-8-26(9-7-16)34(30,31)14-15-4-3-5-19(24)10-15/h3-5,10-13,16H,6-9,14H2,1-2H3,(H,25,27)