(3S)-1-(5-bromanylthiophen-2-yl)sulfonyl-N-(2,6-diethylphenyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(5-bromanylthiophen-2-yl)sulfonyl-N-(2,6-diethylphenyl)piperidine-3-carboxamide Openeye Name: (3S)-1-[(5-bromo-2-thienyl)sulfonyl]-N-(2,6-diethylphenyl)piperidine-3-carboxamide CAS Name: (3S)-1-[(5-bromo-2-thiophenyl)sulfonyl]-N-(2,6-diethylphenyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(5-bromothiophen-2-yl)sulfonyl-N-(2,6-diethylphenyl)piperidine-3-carboxamide Traditional Name: (3S)-1-[(5-bromo-2-thienyl)sulfonyl]-N-(2,6-diethylphenyl)nipecotamide Formula: C20H25BrN2O3S2 MolecularWeight: 485.4581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C20H25BrN2O3S2/c1-3-14-7-5-8-15(4-2)19(14)22-20(24)16-9-6-12-23(13-16)28(25,26)18-11-10-17(21)27-18/h5,7-8,10-11,16H,3-4,6,9,12-13H2,1-2H3,(H,22,24)/t16-/m0/s1