(2-bromanyl-5-piperidin-1-ylsulfonyl-phenyl)-[(2S)-2-phenylpyrrolidin-1-yl]methanone

Systemtic Name: (2-bromanyl-5-piperidin-1-ylsulfonyl-phenyl)-[(2S)-2-phenylpyrrolidin-1-yl]methanone Openeye Name: [2-bromo-5-(1-piperidylsulfonyl)phenyl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone CAS Name: [2-bromo-5-(1-piperidinylsulfonyl)phenyl]-[(2S)-2-phenyl-1-pyrrolidinyl]methanone IUPAC Name: (2-bromo-5-piperidin-1-ylsulfonylphenyl)-[(2S)-2-phenylpyrrolidin-1-yl]methanone Traditional Name: (2-bromo-5-piperidinosulfonyl-phenyl)-[(2S)-2-phenylpyrrolidino]methanone Formula: C22H25BrN2O3S MolecularWeight: 477.4145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)N3CCCC3C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)N3CCC[C@H]3C4=CC=CC=C4

InChI

InChI=1S/C22H25BrN2O3S/c23-20-12-11-18(29(27,28)24-13-5-2-6-14-24)16-19(20)22(26)25-15-7-10-21(25)17-8-3-1-4-9-17/h1,3-4,8-9,11-12,16,21H,2,5-7,10,13-15H2/t21-/m0/s1