N-[(1S,2R)-2-(hydroxymethyl)-2-phenyl-cyclohexyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(1S,2R)-2-(hydroxymethyl)-2-phenyl-cyclohexyl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1S,2R)-2-(hydroxymethyl)-2-phenyl-cyclohexyl]-4-methyl-benzenesulfonamide CAS Name: N-[(1S,2R)-2-(hydroxymethyl)-2-phenylcyclohexyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(1S,2R)-2-(hydroxymethyl)-2-phenylcyclohexyl]-4-methylbenzenesulfonamide Traditional Name: 4-methyl-N-[(1S,2R)-2-methylol-2-phenyl-cyclohexyl]benzenesulfonamide Formula: C20H25NO3S MolecularWeight: 359.4824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2CCCCC2(CO)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2CCCC[C@@]2(CO)C3=CC=CC=C3

InChI

InChI=1S/C20H25NO3S/c1-16-10-12-18(13-11-16)25(23,24)21-19-9-5-6-14-20(19,15-22)17-7-3-2-4-8-17/h2-4,7-8,10-13,19,21-22H,5-6,9,14-15H2,1H3/t19-,20+/m0/s1