6-[4-(3-fluorophenyl)sulfonyl-3-methyl-piperazin-1-yl]-10-methoxy-benzo[b][1,4]benzoxazepine

Systemtic Name: 6-[4-(3-fluorophenyl)sulfonyl-3-methyl-piperazin-1-yl]-10-methoxy-benzo[b][1,4]benzoxazepine Openeye Name: 6-[4-(3-fluorophenyl)sulfonyl-3-methyl-piperazin-1-yl]-10-methoxy-benzo[b][1,4]benzoxazepine CAS Name: 6-[4-(3-fluorophenyl)sulfonyl-3-methyl-1-piperazinyl]-10-methoxybenzo[b][1,4]benzoxazepine IUPAC Name: 6-[4-(3-fluorophenyl)sulfonyl-3-methylpiperazin-1-yl]-10-methoxybenzo[b][1,4]benzoxazepine Traditional Name: 6-[4-(3-fluorophenyl)sulfonyl-3-methyl-piperazino]-10-methoxy-benzo[b][1,4]benzoxazepine Formula: C25H24FN3O4S MolecularWeight: 481.539163

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=CC(=C2)F)C3=NC4=CC=CC=C4OC5=C3C=CC=C5OC

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=CC=CC(=C2)F)C3=NC4=CC=CC=C4OC5=C3C=CC=C5OC

InChI

InChI=1S/C25H24FN3O4S/c1-17-16-28(13-14-29(17)34(30,31)19-8-5-7-18(26)15-19)25-20-9-6-12-23(32-2)24(20)33-22-11-4-3-10-21(22)27-25/h3-12,15,17H,13-14,16H2,1-2H3