6-[4-(4-fluorophenyl)sulfonyl-3-methyl-piperazin-1-yl]-9-methoxy-2-methyl-benzo[b][1,4]benzoxazepine

Systemtic Name: 6-[4-(4-fluorophenyl)sulfonyl-3-methyl-piperazin-1-yl]-9-methoxy-2-methyl-benzo[b][1,4]benzoxazepine Openeye Name: 6-[4-(4-fluorophenyl)sulfonyl-3-methyl-piperazin-1-yl]-9-methoxy-2-methyl-benzo[b][1,4]benzoxazepine CAS Name: 6-[4-(4-fluorophenyl)sulfonyl-3-methyl-1-piperazinyl]-9-methoxy-2-methylbenzo[b][1,4]benzoxazepine IUPAC Name: 6-[4-(4-fluorophenyl)sulfonyl-3-methylpiperazin-1-yl]-9-methoxy-2-methylbenzo[b][1,4]benzoxazepine Traditional Name: 6-[4-(4-fluorophenyl)sulfonyl-3-methyl-piperazino]-9-methoxy-2-methyl-benzo[b][1,4]benzoxazepine Formula: C26H26FN3O4S MolecularWeight: 495.565743

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)F)C3=NC4=C(C=C(C=C4)C)OC5=C3C=CC(=C5)OC

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)F)C3=NC4=C(C=C(C=C4)C)OC5=C3C=CC(=C5)OC

InChI

InChI=1S/C26H26FN3O4S/c1-17-4-11-23-25(14-17)34-24-15-20(33-3)7-10-22(24)26(28-23)29-12-13-30(18(2)16-29)35(31,32)21-8-5-19(27)6-9-21/h4-11,14-15,18H,12-13,16H2,1-3H3