(2R,3R,4R)-3-(1H-indol-3-ylmethyl)-1-methyl-4-(phenylsulfonyl)piperidine-2-carbonitrile

Systemtic Name: (2R,3R,4R)-3-(1H-indol-3-ylmethyl)-1-methyl-4-(phenylsulfonyl)piperidine-2-carbonitrile Openeye Name: (2R,3R,4R)-4-(benzenesulfonyl)-3-(1H-indol-3-ylmethyl)-1-methyl-piperidine-2-carbonitrile CAS Name: (2R,3R,4R)-4-(benzenesulfonyl)-3-(1H-indol-3-ylmethyl)-1-methyl-2-piperidinecarbonitrile IUPAC Name: (2R,3R,4R)-4-(benzenesulfonyl)-3-(1H-indol-3-ylmethyl)-1-methylpiperidine-2-carbonitrile Traditional Name: (2R,3R,4R)-4-besyl-3-(1H-indol-3-ylmethyl)-1-methyl-pipecolinonitrile Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C(C1C#N)CC2=CNC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CN1CC[C@H]([C@@H]([C@@H]1C#N)CC2=CNC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O2S/c1-25-12-11-22(28(26,27)17-7-3-2-4-8-17)19(21(25)14-23)13-16-15-24-20-10-6-5-9-18(16)20/h2-10,15,19,21-22,24H,11-13H2,1H3/t19-,21+,22-/m1/s1