4-bromanyl-N-[(2S,3R)-3-(4-methoxyphenyl)-1-oxidanyl-pentan-2-yl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[(2S,3R)-3-(4-methoxyphenyl)-1-oxidanyl-pentan-2-yl]benzenesulfonamide Openeye Name: 4-bromo-N-[(1S,2R)-1-(hydroxymethyl)-2-(4-methoxyphenyl)butyl]benzenesulfonamide CAS Name: 4-bromo-N-[(2S,3R)-1-hydroxy-3-(4-methoxyphenyl)pentan-2-yl]benzenesulfonamide IUPAC Name: 4-bromo-N-[(2S,3R)-1-hydroxy-3-(4-methoxyphenyl)pentan-2-yl]benzenesulfonamide Traditional Name: 4-bromo-N-[(1S,2R)-2-(4-methoxyphenyl)-1-methylol-butyl]benzenesulfonamide Formula: C18H22BrNO4S MolecularWeight: 428.34058

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)OC)C(CO)NS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrNO4S/c1-3-17(13-4-8-15(24-2)9-5-13)18(12-21)20-25(22,23)16-10-6-14(19)7-11-16/h4-11,17-18,20-21H,3,12H2,1-2H3/t17-,18-/m1/s1