6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-9-methoxy-2-methyl-benzo[b][1,4]benzoxazepine

Systemtic Name: 6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-9-methoxy-2-methyl-benzo[b][1,4]benzoxazepine Openeye Name: 6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-9-methoxy-2-methyl-benzo[b][1,4]benzoxazepine CAS Name: 6-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-9-methoxy-2-methylbenzo[b][1,4]benzoxazepine IUPAC Name: 6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-9-methoxy-2-methylbenzo[b][1,4]benzoxazepine Traditional Name: 6-[4-(4-fluorophenyl)sulfonylpiperazino]-9-methoxy-2-methyl-benzo[b][1,4]benzoxazepine Formula: C25H24FN3O4S MolecularWeight: 481.539163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=C(C=C3)OC)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C3=C(O2)C=C(C=C3)OC)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)F

InChI

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