tert-butyl 3-[2-[(5R)-5-[(4-methylphenyl)sulfonyloxymethyl]-2-oxidanylidene-piperidin-1-yl]ethyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[2-[(5R)-5-[(4-methylphenyl)sulfonyloxymethyl]-2-oxidanylidene-piperidin-1-yl]ethyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[2-[(5R)-2-oxo-5-(p-tolylsulfonyloxymethyl)-1-piperidyl]ethyl]indole-1-carboxylate CAS Name: 3-[2-[(5R)-5-[(4-methylphenyl)sulfonyloxymethyl]-2-oxo-1-piperidinyl]ethyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-[(5R)-5-[(4-methylphenyl)sulfonyloxymethyl]-2-oxopiperidin-1-yl]ethyl]indole-1-carboxylate Traditional Name: 3-[2-[(5R)-2-keto-5-(tosyloxymethyl)piperidino]ethyl]indole-1-carboxylic acid tert-butyl ester Formula: C28H34N2O6S MolecularWeight: 526.64436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC(=O)N(C2)CCC3=CN(C4=CC=CC=C43)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2CCC(=O)N(C2)CCC3=CN(C4=CC=CC=C43)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H34N2O6S/c1-20-9-12-23(13-10-20)37(33,34)35-19-21-11-14-26(31)29(17-21)16-15-22-18-30(27(32)36-28(2,3)4)25-8-6-5-7-24(22)25/h5-10,12-13,18,21H,11,14-17,19H2,1-4H3/t21-/m1/s1