ethyl 4-[[4-[3-[4-[(4-fluorophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-3-oxidanylidene-propyl]piperidin-1-yl]methyl]benzenesulfonate

Systemtic Name: ethyl 4-[[4-[3-[4-[(4-fluorophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-3-oxidanylidene-propyl]piperidin-1-yl]methyl]benzenesulfonate Openeye Name: ethyl 4-[[4-[3-[4-[(4-fluorophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-3-oxo-propyl]-1-piperidyl]methyl]benzenesulfonate CAS Name: 4-[[4-[3-[4-[(4-fluorophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-3-oxopropyl]-1-piperidinyl]methyl]benzenesulfonic acid ethyl ester IUPAC Name: ethyl 4-[[4-[3-[4-[(4-fluorophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-3-oxopropyl]piperidin-1-yl]methyl]benzenesulfonate Traditional Name: 4-[[4-[3-[4-(4-fluorobenzyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-3-keto-propyl]piperidino]methyl]benzenesulfonic acid ethyl ester Formula: C33H39FN2O5S MolecularWeight: 594.736563

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)C1=CC=C(C=C1)CN2CCC(CC2)CCC(=O)C3=CC4=C(C=C3)OCCN(C4)CC5=CC=C(C=C5)F

Isomeric SMILES

CCOS(=O)(=O)C1=CC=C(C=C1)CN2CCC(CC2)CCC(=O)C3=CC4=C(C=C3)OCCN(C4)CC5=CC=C(C=C5)F

InChI

InChI=1S/C33H39FN2O5S/c1-2-41-42(38,39)31-11-5-27(6-12-31)22-35-17-15-25(16-18-35)7-13-32(37)28-8-14-33-29(21-28)24-36(19-20-40-33)23-26-3-9-30(34)10-4-26/h3-6,8-12,14,21,25H,2,7,13,15-20,22-24H2,1H3