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

Systemtic Name: 4-(5-chloranyl-2-methoxy-phenyl)sulfonyl-7-(2-methylphenyl)-9-(oxolan-3-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-(5-chloro-2-methoxy-phenyl)sulfonyl-7-(o-tolyl)-9-(tetrahydrofuran-3-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-(5-chloro-2-methoxyphenyl)sulfonyl-7-(2-methylphenyl)-9-(3-oxolanylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-(5-chloro-2-methoxyphenyl)sulfonyl-7-(2-methylphenyl)-9-(oxolan-3-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-(5-chloro-2-methoxy-phenyl)sulfonyl-7-(o-tolyl)-9-(tetrahydrofuran-3-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C28H30ClNO6S MolecularWeight: 544.0589

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30ClNO6S/c1-19-5-3-4-6-24(19)21-13-22-16-30(37(31,32)27-15-23(29)7-8-25(27)33-2)10-12-35-28(22)26(14-21)36-18-20-9-11-34-17-20/h3-8,13-15,20H,9-12,16-18H2,1-2H3