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

Systemtic Name: 6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-10-methoxy-benzo[b][1,4]benzoxazepine Openeye Name: 6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-10-methoxy-benzo[b][1,4]benzoxazepine CAS Name: 6-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-10-methoxybenzo[b][1,4]benzoxazepine IUPAC Name: 6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-10-methoxybenzo[b][1,4]benzoxazepine Traditional Name: 6-[4-(4-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=C(C=C5)F

Isomeric SMILES

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

InChI

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