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

Systemtic Name: 3-[4-(3-fluoranyl-8-methoxy-6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethyl-N-methylsulfonyl-propanamide Openeye Name: 3-[4-(3-fluoro-8-methoxy-6H-benzo[c][1]benzoxepin-11-ylidene)-1-piperidyl]-2,2-dimethyl-N-methylsulfonyl-propanamide CAS Name: 3-[4-(3-fluoro-8-methoxy-6H-benzo[c][1]benzoxepin-11-ylidene)-1-piperidinyl]-2,2-dimethyl-N-methylsulfonylpropanamide IUPAC Name: 3-[4-(3-fluoro-8-methoxy-6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]-2,2-dimethyl-N-methylsulfonylpropanamide Traditional Name: 3-[4-(3-fluoro-8-methoxy-6H-benzo[c][1]benzoxepin-11-ylidene)piperidino]-N-mesyl-2,2-dimethyl-propionamide Formula: C26H31FN2O5S MolecularWeight: 502.598143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31FN2O5S/c1-26(2,25(30)28-35(4,31)32)16-29-11-9-17(10-12-29)24-21-8-6-20(33-3)13-18(21)15-34-23-14-19(27)5-7-22(23)24/h5-8,13-14H,9-12,15-16H2,1-4H3,(H,28,30)