4-chloranyl-N-[(2S,3S)-1-oxidanyl-3-phenyl-nonan-2-yl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(2S,3S)-1-oxidanyl-3-phenyl-nonan-2-yl]benzenesulfonamide Openeye Name: 4-chloro-N-[(1S,2S)-1-(hydroxymethyl)-2-phenyl-octyl]benzenesulfonamide CAS Name: 4-chloro-N-[(2S,3S)-1-hydroxy-3-phenylnonan-2-yl]benzenesulfonamide IUPAC Name: 4-chloro-N-[(2S,3S)-1-hydroxy-3-phenylnonan-2-yl]benzenesulfonamide Traditional Name: 4-chloro-N-[(1S,2S)-1-methylol-2-phenyl-octyl]benzenesulfonamide Formula: C21H28ClNO3S MolecularWeight: 409.96992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C1=CC=CC=C1)C(CO)NS(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCC[C@@H](C1=CC=CC=C1)[C@@H](CO)NS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H28ClNO3S/c1-2-3-4-8-11-20(17-9-6-5-7-10-17)21(16-24)23-27(25,26)19-14-12-18(22)13-15-19/h5-7,9-10,12-15,20-21,23-24H,2-4,8,11,16H2,1H3/t20-,21+/m0/s1