N-[(2R)-1-(1H-indol-3-yl)-3-sulfanyl-propan-2-yl]-1-[2-(4-phenylphenyl)ethanoyl]piperidine-4-carboxamide

Systemtic Name: N-[(2R)-1-(1H-indol-3-yl)-3-sulfanyl-propan-2-yl]-1-[2-(4-phenylphenyl)ethanoyl]piperidine-4-carboxamide Openeye Name: N-[(1R)-1-(1H-indol-3-ylmethyl)-2-sulfanyl-ethyl]-1-[2-(4-phenylphenyl)acetyl]piperidine-4-carboxamide CAS Name: N-[(2R)-1-(1H-indol-3-yl)-3-mercaptopropan-2-yl]-1-[1-oxo-2-(4-phenylphenyl)ethyl]-4-piperidinecarboxamide IUPAC Name: N-[(2R)-1-(1H-indol-3-yl)-3-sulfanylpropan-2-yl]-1-[2-(4-phenylphenyl)acetyl]piperidine-4-carboxamide Traditional Name: N-[(1R)-1-(1H-indol-3-ylmethyl)-2-mercapto-ethyl]-1-[2-(4-phenylphenyl)acetyl]isonipecotamide Formula: C31H33N3O2S MolecularWeight: 511.67762

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC(CC2=CNC3=CC=CC=C32)CS)C(=O)CC4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)N[C@H](CC2=CNC3=CC=CC=C32)CS)C(=O)CC4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H33N3O2S/c35-30(18-22-10-12-24(13-11-22)23-6-2-1-3-7-23)34-16-14-25(15-17-34)31(36)33-27(21-37)19-26-20-32-29-9-5-4-8-28(26)29/h1-13,20,25,27,32,37H,14-19,21H2,(H,33,36)/t27-/m1/s1