4-[[(3S)-4-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepin-3-yl]methyl]phenol

Systemtic Name: 4-[[(3S)-4-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepin-3-yl]methyl]phenol Openeye Name: 4-[[(3S)-4-(p-tolylsulfonyl)-3,5-dihydro-2H-1,4-benzoxazepin-3-yl]methyl]phenol CAS Name: 4-[[(3S)-4-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepin-3-yl]methyl]phenol IUPAC Name: 4-[[(3S)-4-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepin-3-yl]methyl]phenol Traditional Name: 4-[[(3S)-4-tosyl-3,5-dihydro-2H-1,4-benzoxazepin-3-yl]methyl]phenol Formula: C23H23NO4S MolecularWeight: 409.49802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3OCC2CC4=CC=C(C=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3OC[C@@H]2CC4=CC=C(C=C4)O

InChI

InChI=1S/C23H23NO4S/c1-17-6-12-22(13-7-17)29(26,27)24-15-19-4-2-3-5-23(19)28-16-20(24)14-18-8-10-21(25)11-9-18/h2-13,20,25H,14-16H2,1H3/t20-/m0/s1