4-[2-[(3-fluorophenyl)methoxy]ethyl]-1-(4-methylphenyl)sulfonyl-1,4-diazepan-5-one

Systemtic Name: 4-[2-[(3-fluorophenyl)methoxy]ethyl]-1-(4-methylphenyl)sulfonyl-1,4-diazepan-5-one Openeye Name: 4-[2-[(3-fluorophenyl)methoxy]ethyl]-1-(p-tolylsulfonyl)-1,4-diazepan-5-one CAS Name: 4-[2-[(3-fluorophenyl)methoxy]ethyl]-1-(4-methylphenyl)sulfonyl-1,4-diazepan-5-one IUPAC Name: 4-[2-[(3-fluorophenyl)methoxy]ethyl]-1-(4-methylphenyl)sulfonyl-1,4-diazepan-5-one Traditional Name: 4-[2-(3-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(=CC=C3)F

Isomeric SMILES

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

InChI

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