6-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-8-methyl-benzo[b][1,4]benzoxazepine

Systemtic Name: 6-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-8-methyl-benzo[b][1,4]benzoxazepine Openeye Name: 6-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-8-methyl-benzo[b][1,4]benzoxazepine CAS Name: 6-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-8-methylbenzo[b][1,4]benzoxazepine IUPAC Name: 6-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-8-methylbenzo[b][1,4]benzoxazepine Traditional Name: 6-[4-(3-fluorophenyl)sulfonylpiperazino]-8-methyl-benzo[b][1,4]benzoxazepine Formula: C24H22FN3O3S MolecularWeight: 451.513183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=CC=CC=C3N=C2N4CCN(CC4)S(=O)(=O)C5=CC=CC(=C5)F

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=CC=CC=C3N=C2N4CCN(CC4)S(=O)(=O)C5=CC=CC(=C5)F

InChI

InChI=1S/C24H22FN3O3S/c1-17-9-10-22-20(15-17)24(26-21-7-2-3-8-23(21)31-22)27-11-13-28(14-12-27)32(29,30)19-6-4-5-18(25)16-19/h2-10,15-16H,11-14H2,1H3