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

Systemtic Name: 6-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-9-methoxy-benzo[b][1,4]benzoxazepine Openeye Name: 6-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-9-methoxy-benzo[b][1,4]benzoxazepine CAS Name: 6-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-9-methoxybenzo[b][1,4]benzoxazepine IUPAC Name: 6-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-9-methoxybenzo[b][1,4]benzoxazepine Traditional Name: 6-[4-(3-fluorophenyl)sulfonylpiperazino]-9-methoxy-benzo[b][1,4]benzoxazepine Formula: C24H22FN3O4S MolecularWeight: 467.512583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC3=CC=CC=C3O2)N4CCN(CC4)S(=O)(=O)C5=CC=CC(=C5)F

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC3=CC=CC=C3O2)N4CCN(CC4)S(=O)(=O)C5=CC=CC(=C5)F

InChI

InChI=1S/C24H22FN3O4S/c1-31-18-9-10-20-23(16-18)32-22-8-3-2-7-21(22)26-24(20)27-11-13-28(14-12-27)33(29,30)19-6-4-5-17(25)15-19/h2-10,15-16H,11-14H2,1H3