[(3R,4R)-1-(4-methylphenyl)sulfonyl-3-oxidanyl-azepan-4-yl] benzoate

Systemtic Name: [(3R,4R)-1-(4-methylphenyl)sulfonyl-3-oxidanyl-azepan-4-yl] benzoate Openeye Name: [(3R,4R)-3-hydroxy-1-(p-tolylsulfonyl)azepan-4-yl] benzoate CAS Name: benzoic acid [(3R,4R)-3-hydroxy-1-(4-methylphenyl)sulfonyl-4-azepanyl] ester IUPAC Name: [(3R,4R)-3-hydroxy-1-(4-methylphenyl)sulfonylazepan-4-yl] benzoate Traditional Name: benzoic acid [(3R,4R)-3-hydroxy-1-tosyl-azepan-4-yl] ester Formula: C20H23NO5S MolecularWeight: 389.46532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C(C2)O)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]([C@@H](C2)O)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H23NO5S/c1-15-9-11-17(12-10-15)27(24,25)21-13-5-8-19(18(22)14-21)26-20(23)16-6-3-2-4-7-16/h2-4,6-7,9-12,18-19,22H,5,8,13-14H2,1H3/t18-,19-/m1/s1