7-(2-methylphenyl)-9-(oxolan-3-ylmethoxy)-4-(phenylmethyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 7-(2-methylphenyl)-9-(oxolan-3-ylmethoxy)-4-(phenylmethyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-benzylsulfonyl-7-(o-tolyl)-9-(tetrahydrofuran-3-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 7-(2-methylphenyl)-9-(3-oxolanylmethoxy)-4-(phenylmethyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-benzylsulfonyl-7-(2-methylphenyl)-9-(oxolan-3-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-benzylsulfonyl-7-(o-tolyl)-9-(tetrahydrofuran-3-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C28H31NO5S MolecularWeight: 493.61444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC3=C(C(=C2)OCC4CCOC4)OCCN(C3)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C2=CC3=C(C(=C2)OCC4CCOC4)OCCN(C3)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C28H31NO5S/c1-21-7-5-6-10-26(21)24-15-25-17-29(35(30,31)20-22-8-3-2-4-9-22)12-14-33-28(25)27(16-24)34-19-23-11-13-32-18-23/h2-10,15-16,23H,11-14,17-20H2,1H3