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

Systemtic Name: 2-ethyl-2-[[4-(8-methoxy-6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]methyl]-N-methylsulfonyl-butanamide Openeye Name: 2-ethyl-2-[[4-(8-methoxy-6H-benzo[c][1]benzoxepin-11-ylidene)-1-piperidyl]methyl]-N-methylsulfonyl-butanamide CAS Name: 2-ethyl-2-[[4-(8-methoxy-6H-benzo[c][1]benzoxepin-11-ylidene)-1-piperidinyl]methyl]-N-methylsulfonylbutanamide IUPAC Name: 2-ethyl-2-[[4-(8-methoxy-6H-benzo[c][1]benzoxepin-11-ylidene)piperidin-1-yl]methyl]-N-methylsulfonylbutanamide Traditional Name: 2-ethyl-N-mesyl-2-[[4-(8-methoxy-6H-benzo[c][1]benzoxepin-11-ylidene)piperidino]methyl]butyramide Formula: C28H36N2O5S MolecularWeight: 512.66084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36N2O5S/c1-5-28(6-2,27(31)29-36(4,32)33)19-30-15-13-20(14-16-30)26-23-12-11-22(34-3)17-21(23)18-35-25-10-8-7-9-24(25)26/h7-12,17H,5-6,13-16,18-19H2,1-4H3,(H,29,31)