7-(2-methylphenyl)-9-[[(3S)-oxolan-3-yl]methoxy]-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 7-(2-methylphenyl)-9-[[(3S)-oxolan-3-yl]methoxy]-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 7-(o-tolyl)-9-[[(3S)-tetrahydrofuran-3-yl]methoxy]-4-(2-thienylsulfonyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 7-(2-methylphenyl)-9-[[(3S)-3-oxolanyl]methoxy]-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 7-(2-methylphenyl)-9-[[(3S)-oxolan-3-yl]methoxy]-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 7-(o-tolyl)-9-[[(3S)-tetrahydrofuran-3-yl]methoxy]-4-(2-thienylsulfonyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C25H27NO5S2 MolecularWeight: 485.61558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC3=C(C(=C2)OCC4CCOC4)OCCN(C3)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC=CC=C1C2=CC3=C(C(=C2)OC[C@H]4CCOC4)OCCN(C3)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C25H27NO5S2/c1-18-5-2-3-6-22(18)20-13-21-15-26(33(27,28)24-7-4-12-32-24)9-11-30-25(21)23(14-20)31-17-19-8-10-29-16-19/h2-7,12-14,19H,8-11,15-17H2,1H3/t19-/m0/s1