5-bromanyl-N-[(2R,3S)-5-methyl-1-oxidanyl-3-pyridin-2-yl-hexan-2-yl]thiophene-2-sulfonamide

Systemtic Name: 5-bromanyl-N-[(2R,3S)-5-methyl-1-oxidanyl-3-pyridin-2-yl-hexan-2-yl]thiophene-2-sulfonamide Openeye Name: 5-bromo-N-[(1R,2S)-1-(hydroxymethyl)-4-methyl-2-(2-pyridyl)pentyl]thiophene-2-sulfonamide CAS Name: 5-bromo-N-[(2R,3S)-1-hydroxy-5-methyl-3-(2-pyridinyl)hexan-2-yl]-2-thiophenesulfonamide IUPAC Name: 5-bromo-N-[(2R,3S)-1-hydroxy-5-methyl-3-pyridin-2-ylhexan-2-yl]thiophene-2-sulfonamide Traditional Name: 5-bromo-N-[(1R,2S)-4-methyl-1-methylol-2-(2-pyridyl)pentyl]thiophene-2-sulfonamide Formula: C16H21BrN2O3S2 MolecularWeight: 433.38354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=N1)C(CO)NS(=O)(=O)C2=CC=C(S2)Br

Isomeric SMILES

CC(C)C[C@H](C1=CC=CC=N1)[C@H](CO)NS(=O)(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C16H21BrN2O3S2/c1-11(2)9-12(13-5-3-4-8-18-13)14(10-20)19-24(21,22)16-7-6-15(17)23-16/h3-8,11-12,14,19-20H,9-10H2,1-2H3/t12-,14+/m1/s1