(phenylmethyl) (2S,4S,5S)-5-ethyl-2-(1H-indol-3-yl)-4-(methylsulfonyloxymethyl)piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S,4S,5S)-5-ethyl-2-(1H-indol-3-yl)-4-(methylsulfonyloxymethyl)piperidine-1-carboxylate Openeye Name: benzyl (2S,4S,5S)-5-ethyl-2-(1H-indol-3-yl)-4-(methylsulfonyloxymethyl)piperidine-1-carboxylate CAS Name: (2S,4S,5S)-5-ethyl-2-(1H-indol-3-yl)-4-(methylsulfonyloxymethyl)-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,4S,5S)-5-ethyl-2-(1H-indol-3-yl)-4-(methylsulfonyloxymethyl)piperidine-1-carboxylate Traditional Name: (2S,4S,5S)-5-ethyl-2-(1H-indol-3-yl)-4-(methylsulfonyloxymethyl)piperidine-1-carboxylic acid benzyl ester Formula: C25H30N2O5S MolecularWeight: 470.5811

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(C(CC1COS(=O)(=O)C)C2=CNC3=CC=CC=C32)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC[C@@H]1CN([C@@H](C[C@@H]1COS(=O)(=O)C)C2=CNC3=CC=CC=C32)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H30N2O5S/c1-3-19-15-27(25(28)31-16-18-9-5-4-6-10-18)24(13-20(19)17-32-33(2,29)30)22-14-26-23-12-8-7-11-21(22)23/h4-12,14,19-20,24,26H,3,13,15-17H2,1-2H3/t19-,20-,24+/m1/s1