7-(2-methylphenyl)-9-(oxolan-3-yloxy)-4-quinolin-8-ylsulfonyl-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 7-(2-methylphenyl)-9-(oxolan-3-yloxy)-4-quinolin-8-ylsulfonyl-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 7-(o-tolyl)-4-(8-quinolylsulfonyl)-9-tetrahydrofuran-3-yloxy-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 7-(2-methylphenyl)-9-(3-oxolanyloxy)-4-(8-quinolinylsulfonyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 7-(2-methylphenyl)-9-(oxolan-3-yloxy)-4-quinolin-8-ylsulfonyl-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 7-(o-tolyl)-4-(8-quinolylsulfonyl)-9-tetrahydrofuran-3-yloxy-3,5-dihydro-2H-1,4-benzoxazepine Formula: C29H28N2O5S MolecularWeight: 516.60802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC3=C(C(=C2)OC4CCOC4)OCCN(C3)S(=O)(=O)C5=CC=CC6=C5N=CC=C6

Isomeric SMILES

CC1=CC=CC=C1C2=CC3=C(C(=C2)OC4CCOC4)OCCN(C3)S(=O)(=O)C5=CC=CC6=C5N=CC=C6

InChI

InChI=1S/C29H28N2O5S/c1-20-6-2-3-9-25(20)22-16-23-18-31(13-15-35-29(23)26(17-22)36-24-11-14-34-19-24)37(32,33)27-10-4-7-21-8-5-12-30-28(21)27/h2-10,12,16-17,24H,11,13-15,18-19H2,1H3