N-[(2S)-1-[2-(hydroxymethyl)phenyl]sulfanyl-3-(4-phenylmethoxyphenyl)propan-2-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(2S)-1-[2-(hydroxymethyl)phenyl]sulfanyl-3-(4-phenylmethoxyphenyl)propan-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1S)-1-[(4-benzyloxyphenyl)methyl]-2-[2-(hydroxymethyl)phenyl]sulfanyl-ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[(2S)-1-[[2-(hydroxymethyl)phenyl]thio]-3-(4-phenylmethoxyphenyl)propan-2-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[(2S)-1-[2-(hydroxymethyl)phenyl]sulfanyl-3-(4-phenylmethoxyphenyl)propan-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[(1S)-1-(4-benzoxybenzyl)-2-[(2-methylolphenyl)thio]ethyl]-4-methyl-benzenesulfonamide Formula: C30H31NO4S2 MolecularWeight: 533.70144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=C(C=C2)OCC3=CC=CC=C3)CSC4=CC=CC=C4CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=C(C=C2)OCC3=CC=CC=C3)CSC4=CC=CC=C4CO

InChI

InChI=1S/C30H31NO4S2/c1-23-11-17-29(18-12-23)37(33,34)31-27(22-36-30-10-6-5-9-26(30)20-32)19-24-13-15-28(16-14-24)35-21-25-7-3-2-4-8-25/h2-18,27,31-32H,19-22H2,1H3/t27-/m0/s1