4-methyl-N-[(2S)-1-phenyl-3-[2-(phenylmethyl)-1,3-dithian-2-yl]propan-2-yl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[(2S)-1-phenyl-3-[2-(phenylmethyl)-1,3-dithian-2-yl]propan-2-yl]benzenesulfonamide Openeye Name: N-[(1S)-1-benzyl-2-(2-benzyl-1,3-dithian-2-yl)ethyl]-4-methyl-benzenesulfonamide CAS Name: 4-methyl-N-[(2S)-1-phenyl-3-[2-(phenylmethyl)-1,3-dithian-2-yl]propan-2-yl]benzenesulfonamide IUPAC Name: N-[(2S)-1-(2-benzyl-1,3-dithian-2-yl)-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[(1S)-1-benzyl-2-(2-benzyl-1,3-dithian-2-yl)ethyl]-4-methyl-benzenesulfonamide Formula: C27H31NO2S3 MolecularWeight: 497.73554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)CC3(SCCCS3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)CC3(SCCCS3)CC4=CC=CC=C4

InChI

InChI=1S/C27H31NO2S3/c1-22-13-15-26(16-14-22)33(29,30)28-25(19-23-9-4-2-5-10-23)21-27(31-17-8-18-32-27)20-24-11-6-3-7-12-24/h2-7,9-16,25,28H,8,17-21H2,1H3/t25-/m0/s1