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

Systemtic Name: 2-ethyl-2-[[4-(2-fluoranyl-8-methoxy-6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]methyl]-N-methylsulfonyl-butanamide Openeye Name: 2-ethyl-2-[[4-(2-fluoro-8-methoxy-6H-benzo[c][1]benzoxepin-11-ylidene)-1-piperidyl]methyl]-N-methylsulfonyl-butanamide CAS Name: 2-ethyl-2-[[4-(2-fluoro-8-methoxy-6H-benzo[c][1]benzoxepin-11-ylidene)-1-piperidinyl]methyl]-N-methylsulfonylbutanamide IUPAC Name: 2-ethyl-2-[[4-(2-fluoro-8-methoxy-6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]methyl]-N-methylsulfonylbutanamide Traditional Name: 2-ethyl-2-[[4-(2-fluoro-8-methoxy-6H-benzo[c][1]benzoxepin-11-ylidene)piperidino]methyl]-N-mesyl-butyramide Formula: C28H35FN2O5S MolecularWeight: 530.651303

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CN1CCC(=C2C3=C(COC4=C2C=C(C=C4)F)C=C(C=C3)OC)CC1)C(=O)NS(=O)(=O)C

Isomeric SMILES

CCC(CC)(CN1CCC(=C2C3=C(COC4=C2C=C(C=C4)F)C=C(C=C3)OC)CC1)C(=O)NS(=O)(=O)C

InChI

InChI=1S/C28H35FN2O5S/c1-5-28(6-2,27(32)30-37(4,33)34)18-31-13-11-19(12-14-31)26-23-9-8-22(35-3)15-20(23)17-36-25-10-7-21(29)16-24(25)26/h7-10,15-16H,5-6,11-14,17-18H2,1-4H3,(H,30,32)