6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-8-methoxy-benzo[b][1,4]benzoxazepine

Systemtic Name: 6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-8-methoxy-benzo[b][1,4]benzoxazepine Openeye Name: 6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-8-methoxy-benzo[b][1,4]benzoxazepine CAS Name: 6-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-8-methoxybenzo[b][1,4]benzoxazepine IUPAC Name: 6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-8-methoxybenzo[b][1,4]benzoxazepine Traditional Name: 6-[4-(4-fluorophenyl)sulfonylpiperazino]-8-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)OC3=CC=CC=C3N=C2N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)F

Isomeric SMILES

COC1=CC2=C(C=C1)OC3=CC=CC=C3N=C2N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)F

InChI

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