4-(5-chloranyl-2-methoxy-phenyl)sulfonyl-7-(2-methylphenyl)-9-(oxolan-3-yloxy)-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 4-(5-chloranyl-2-methoxy-phenyl)sulfonyl-7-(2-methylphenyl)-9-(oxolan-3-yloxy)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-(5-chloro-2-methoxy-phenyl)sulfonyl-7-(o-tolyl)-9-tetrahydrofuran-3-yloxy-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-(5-chloro-2-methoxyphenyl)sulfonyl-7-(2-methylphenyl)-9-(3-oxolanyloxy)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-(5-chloro-2-methoxyphenyl)sulfonyl-7-(2-methylphenyl)-9-(oxolan-3-yloxy)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-(5-chloro-2-methoxy-phenyl)sulfonyl-7-(o-tolyl)-9-tetrahydrofuran-3-yloxy-3,5-dihydro-2H-1,4-benzoxazepine Formula: C27H28ClNO6S MolecularWeight: 530.03232

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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=C(C=CC(=C5)Cl)OC

Isomeric SMILES

CC1=CC=CC=C1C2=CC3=C(C(=C2)OC4CCOC4)OCCN(C3)S(=O)(=O)C5=C(C=CC(=C5)Cl)OC

InChI

InChI=1S/C27H28ClNO6S/c1-18-5-3-4-6-23(18)19-13-20-16-29(36(30,31)26-15-21(28)7-8-24(26)32-2)10-12-34-27(20)25(14-19)35-22-9-11-33-17-22/h3-8,13-15,22H,9-12,16-17H2,1-2H3