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

Systemtic Name: 6-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-10-methoxy-benzo[b][1,4]benzoxazepine Openeye Name: 6-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-10-methoxy-benzo[b][1,4]benzoxazepine CAS Name: 6-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-10-methoxybenzo[b][1,4]benzoxazepine IUPAC Name: 6-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-10-methoxybenzo[b][1,4]benzoxazepine Traditional Name: 6-[4-(3-fluorophenyl)sulfonylpiperazino]-10-methoxy-benzo[b][1,4]benzoxazepine Formula: C24H22FN3O4S MolecularWeight: 467.512583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC3=CC=CC=C3N=C2N4CCN(CC4)S(=O)(=O)C5=CC=CC(=C5)F

Isomeric SMILES

COC1=CC=CC2=C1OC3=CC=CC=C3N=C2N4CCN(CC4)S(=O)(=O)C5=CC=CC(=C5)F

InChI

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