N-[4-bromanyl-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl-phenyl]-4-oxidanylidene-4-thiophen-2-yl-butanamide

Systemtic Name: N-[4-bromanyl-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl-phenyl]-4-oxidanylidene-4-thiophen-2-yl-butanamide Openeye Name: N-[4-bromo-2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-oxo-4-(2-thienyl)butanamide CAS Name: N-[4-bromo-2-[[(3R,5S)-3,5-dimethyl-1-piperidinyl]-oxomethyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide IUPAC Name: N-[4-bromo-2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide Traditional Name: N-[4-bromo-2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-keto-4-(2-thienyl)butyramide Formula: C22H25BrN2O3S MolecularWeight: 477.4145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2=C(C=CC(=C2)Br)NC(=O)CCC(=O)C3=CC=CS3)C

Isomeric SMILES

C[C@@H]1C[C@@H](CN(C1)C(=O)C2=C(C=CC(=C2)Br)NC(=O)CCC(=O)C3=CC=CS3)C

InChI

InChI=1S/C22H25BrN2O3S/c1-14-10-15(2)13-25(12-14)22(28)17-11-16(23)5-6-18(17)24-21(27)8-7-19(26)20-4-3-9-29-20/h3-6,9,11,14-15H,7-8,10,12-13H2,1-2H3,(H,24,27)/t14-,15+