(3S)-3-[(3-hydroxyphenyl)methyl]-4-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepin-8-ol

Systemtic Name: (3S)-3-[(3-hydroxyphenyl)methyl]-4-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepin-8-ol Openeye Name: (3S)-3-[(3-hydroxyphenyl)methyl]-4-(p-tolylsulfonyl)-3,5-dihydro-2H-1,4-benzoxazepin-8-ol CAS Name: (3S)-3-[(3-hydroxyphenyl)methyl]-4-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepin-8-ol IUPAC Name: (3S)-3-[(3-hydroxyphenyl)methyl]-4-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepin-8-ol Traditional Name: (3S)-3-(3-hydroxybenzyl)-4-tosyl-3,5-dihydro-2H-1,4-benzoxazepin-8-ol Formula: C23H23NO5S MolecularWeight: 425.49742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO5S/c1-16-5-9-22(10-6-16)30(27,28)24-14-18-7-8-21(26)13-23(18)29-15-19(24)11-17-3-2-4-20(25)12-17/h2-10,12-13,19,25-26H,11,14-15H2,1H3/t19-/m0/s1