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

Systemtic Name: 6-[4-(4-fluorophenyl)sulfonyl-3-methyl-piperazin-1-yl]-9-methoxy-benzo[b][1,4]benzoxazepine Openeye Name: 6-[4-(4-fluorophenyl)sulfonyl-3-methyl-piperazin-1-yl]-9-methoxy-benzo[b][1,4]benzoxazepine CAS Name: 6-[4-(4-fluorophenyl)sulfonyl-3-methyl-1-piperazinyl]-9-methoxybenzo[b][1,4]benzoxazepine IUPAC Name: 6-[4-(4-fluorophenyl)sulfonyl-3-methylpiperazin-1-yl]-9-methoxybenzo[b][1,4]benzoxazepine Traditional Name: 6-[4-(4-fluorophenyl)sulfonyl-3-methyl-piperazino]-9-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=C(C=C2)F)C3=NC4=CC=CC=C4OC5=C3C=CC(=C5)OC

Isomeric SMILES

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

InChI

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