6-[4-(3-fluoranyl-4-methyl-phenyl)sulfonyl-3-methyl-piperazin-1-yl]-9-methoxy-benzo[b][1,4]benzoxazepine

Systemtic Name: 6-[4-(3-fluoranyl-4-methyl-phenyl)sulfonyl-3-methyl-piperazin-1-yl]-9-methoxy-benzo[b][1,4]benzoxazepine Openeye Name: 6-[4-(3-fluoro-4-methyl-phenyl)sulfonyl-3-methyl-piperazin-1-yl]-9-methoxy-benzo[b][1,4]benzoxazepine CAS Name: 6-[4-(3-fluoro-4-methylphenyl)sulfonyl-3-methyl-1-piperazinyl]-9-methoxybenzo[b][1,4]benzoxazepine IUPAC Name: 6-[4-(3-fluoro-4-methylphenyl)sulfonyl-3-methylpiperazin-1-yl]-9-methoxybenzo[b][1,4]benzoxazepine Traditional Name: 6-[4-(3-fluoro-4-methyl-phenyl)sulfonyl-3-methyl-piperazino]-9-methoxy-benzo[b][1,4]benzoxazepine Formula: C26H26FN3O4S MolecularWeight: 495.565743

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC(=C(C=C2)C)F)C3=NC4=CC=CC=C4OC5=C3C=CC(=C5)OC

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=CC(=C(C=C2)C)F)C3=NC4=CC=CC=C4OC5=C3C=CC(=C5)OC

InChI

InChI=1S/C26H26FN3O4S/c1-17-8-10-20(15-22(17)27)35(31,32)30-13-12-29(16-18(30)2)26-21-11-9-19(33-3)14-25(21)34-24-7-5-4-6-23(24)28-26/h4-11,14-15,18H,12-13,16H2,1-3H3