N-[(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-2-phenyl-ethyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-2-phenyl-ethyl]-4-methyl-benzenesulfonamide Openeye Name: N-[(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-2-phenyl-ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[(2R)-2-(1,3-benzoxazol-2-ylthio)-2-phenylethyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-2-phenylethyl]-4-methylbenzenesulfonamide Traditional Name: N-[(2R)-2-(1,3-benzoxazol-2-ylthio)-2-phenyl-ethyl]-4-methyl-benzenesulfonamide Formula: C22H20N2O3S2 MolecularWeight: 424.5358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CC=CC=C2)SC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC[C@@H](C2=CC=CC=C2)SC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H20N2O3S2/c1-16-11-13-18(14-12-16)29(25,26)23-15-21(17-7-3-2-4-8-17)28-22-24-19-9-5-6-10-20(19)27-22/h2-14,21,23H,15H2,1H3/t21-/m0/s1