4-methyl-N-[(5R)-5-oxidanyl-7-oxidanylidene-8-(phenylsulfonyl)octyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[(5R)-5-oxidanyl-7-oxidanylidene-8-(phenylsulfonyl)octyl]benzenesulfonamide Openeye Name: N-[(5R)-8-(benzenesulfonyl)-5-hydroxy-7-oxo-octyl]-4-methyl-benzenesulfonamide CAS Name: N-[(5R)-8-(benzenesulfonyl)-5-hydroxy-7-oxooctyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(5R)-8-(benzenesulfonyl)-5-hydroxy-7-oxooctyl]-4-methylbenzenesulfonamide Traditional Name: N-[(5R)-8-besyl-5-hydroxy-7-keto-octyl]-4-methyl-benzenesulfonamide Formula: C21H27NO6S2 MolecularWeight: 453.57218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCCC(CC(=O)CS(=O)(=O)C2=CC=CC=C2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCC[C@H](CC(=O)CS(=O)(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C21H27NO6S2/c1-17-10-12-21(13-11-17)30(27,28)22-14-6-5-7-18(23)15-19(24)16-29(25,26)20-8-3-2-4-9-20/h2-4,8-13,18,22-23H,5-7,14-16H2,1H3/t18-/m1/s1