bis(phenylmethyl) (3R,4S)-2-oxidanylidene-4-[1-(phenylsulfonyl)indol-3-yl]carbonyl-piperidine-1,3-dicarboxylate

Systemtic Name: bis(phenylmethyl) (3R,4S)-2-oxidanylidene-4-[1-(phenylsulfonyl)indol-3-yl]carbonyl-piperidine-1,3-dicarboxylate Openeye Name: dibenzyl (3R,4S)-4-[1-(benzenesulfonyl)indole-3-carbonyl]-2-oxo-piperidine-1,3-dicarboxylate CAS Name: (3R,4S)-4-[[1-(benzenesulfonyl)-3-indolyl]-oxomethyl]-2-oxopiperidine-1,3-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl (3R,4S)-4-[1-(benzenesulfonyl)indole-3-carbonyl]-2-oxopiperidine-1,3-dicarboxylate Traditional Name: (3R,4S)-4-(1-besylindole-3-carbonyl)-2-keto-piperidine-1,3-dicarboxylic acid dibenzyl ester Formula: C36H30N2O8S MolecularWeight: 650.697

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(C1C(=O)C2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)C(=O)OCC6=CC=CC=C6

Isomeric SMILES

C1CN(C(=O)[C@@H]([C@H]1C(=O)C2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C36H30N2O8S/c39-33(30-22-38(31-19-11-10-18-28(30)31)47(43,44)27-16-8-3-9-17-27)29-20-21-37(36(42)46-24-26-14-6-2-7-15-26)34(40)32(29)35(41)45-23-25-12-4-1-5-13-25/h1-19,22,29,32H,20-21,23-24H2/t29-,32+/m0/s1