4-[2-[(4-fluorophenyl)methoxy]ethyl]-1-(4-methylphenyl)sulfonyl-1,4-diazepan-5-one

Systemtic Name: 4-[2-[(4-fluorophenyl)methoxy]ethyl]-1-(4-methylphenyl)sulfonyl-1,4-diazepan-5-one Openeye Name: 4-[2-[(4-fluorophenyl)methoxy]ethyl]-1-(p-tolylsulfonyl)-1,4-diazepan-5-one CAS Name: 4-[2-[(4-fluorophenyl)methoxy]ethyl]-1-(4-methylphenyl)sulfonyl-1,4-diazepan-5-one IUPAC Name: 4-[2-[(4-fluorophenyl)methoxy]ethyl]-1-(4-methylphenyl)sulfonyl-1,4-diazepan-5-one Traditional Name: 4-[2-(4-fluorobenzyl)oxyethyl]-1-tosyl-1,4-diazepan-5-one Formula: C21H25FN2O4S MolecularWeight: 420.497603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)CCOCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)CCOCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN2O4S/c1-17-2-8-20(9-3-17)29(26,27)24-11-10-21(25)23(12-13-24)14-15-28-16-18-4-6-19(22)7-5-18/h2-9H,10-16H2,1H3