1-[[4-(8-fluoranyl-6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]methyl]-2,3-dimethyl-N-methylsulfonyl-cyclopropane-1-carboxamide

Systemtic Name: 1-[[4-(8-fluoranyl-6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]methyl]-2,3-dimethyl-N-methylsulfonyl-cyclopropane-1-carboxamide Openeye Name: 1-[[4-(8-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)-1-piperidyl]methyl]-2,3-dimethyl-N-methylsulfonyl-cyclopropanecarboxamide CAS Name: 1-[[4-(8-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)-1-piperidinyl]methyl]-2,3-dimethyl-N-methylsulfonyl-1-cyclopropanecarboxamide IUPAC Name: 1-[[4-(8-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]methyl]-2,3-dimethyl-N-methylsulfonylcyclopropane-1-carboxamide Traditional Name: 1-[[4-(8-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)piperidino]methyl]-N-mesyl-2,3-dimethyl-cyclopropanecarboxamide Formula: C27H31FN2O4S MolecularWeight: 498.609443

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C1(CN2CCC(=C3C4=C(COC5=CC=CC=C53)C=C(C=C4)F)CC2)C(=O)NS(=O)(=O)C)C

Isomeric SMILES

CC1C(C1(CN2CCC(=C3C4=C(COC5=CC=CC=C53)C=C(C=C4)F)CC2)C(=O)NS(=O)(=O)C)C

InChI

InChI=1S/C27H31FN2O4S/c1-17-18(2)27(17,26(31)29-35(3,32)33)16-30-12-10-19(11-13-30)25-22-9-8-21(28)14-20(22)15-34-24-7-5-4-6-23(24)25/h4-9,14,17-18H,10-13,15-16H2,1-3H3,(H,29,31)