4-[[(3S)-9-methoxy-4-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepin-3-yl]methyl]phenol

Systemtic Name: 4-[[(3S)-9-methoxy-4-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepin-3-yl]methyl]phenol Openeye Name: 4-[[(3S)-9-methoxy-4-(p-tolylsulfonyl)-3,5-dihydro-2H-1,4-benzoxazepin-3-yl]methyl]phenol CAS Name: 4-[[(3S)-9-methoxy-4-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepin-3-yl]methyl]phenol IUPAC Name: 4-[[(3S)-9-methoxy-4-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepin-3-yl]methyl]phenol Traditional Name: 4-[[(3S)-9-methoxy-4-tosyl-3,5-dihydro-2H-1,4-benzoxazepin-3-yl]methyl]phenol Formula: C24H25NO5S MolecularWeight: 439.524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C(=CC=C3)OC)OCC2CC4=CC=C(C=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C(=CC=C3)OC)OC[C@@H]2CC4=CC=C(C=C4)O

InChI

InChI=1S/C24H25NO5S/c1-17-6-12-22(13-7-17)31(27,28)25-15-19-4-3-5-23(29-2)24(19)30-16-20(25)14-18-8-10-21(26)11-9-18/h3-13,20,26H,14-16H2,1-2H3/t20-/m0/s1