2-ethyl-2-[[4-(8-fluoranyl-6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]methyl]-N-methylsulfonyl-butanamide

Systemtic Name: 2-ethyl-2-[[4-(8-fluoranyl-6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]methyl]-N-methylsulfonyl-butanamide Openeye Name: 2-ethyl-2-[[4-(8-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)-1-piperidyl]methyl]-N-methylsulfonyl-butanamide CAS Name: 2-ethyl-2-[[4-(8-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)-1-piperidinyl]methyl]-N-methylsulfonylbutanamide IUPAC Name: 2-ethyl-2-[[4-(8-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]methyl]-N-methylsulfonylbutanamide Traditional Name: 2-ethyl-2-[[4-(8-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)piperidino]methyl]-N-mesyl-butyramide Formula: C27H33FN2O4S MolecularWeight: 500.625323

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CN1CCC(=C2C3=C(COC4=CC=CC=C42)C=C(C=C3)F)CC1)C(=O)NS(=O)(=O)C

Isomeric SMILES

CCC(CC)(CN1CCC(=C2C3=C(COC4=CC=CC=C42)C=C(C=C3)F)CC1)C(=O)NS(=O)(=O)C

InChI

InChI=1S/C27H33FN2O4S/c1-4-27(5-2,26(31)29-35(3,32)33)18-30-14-12-19(13-15-30)25-22-11-10-21(28)16-20(22)17-34-24-9-7-6-8-23(24)25/h6-11,16H,4-5,12-15,17-18H2,1-3H3,(H,29,31)