2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]fluoren-9-one

Systemtic Name: 2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]fluoren-9-one Openeye Name: 2-[4-(p-tolylsulfonyl)-1,4-diazepane-1-carbonyl]fluoren-9-one CAS Name: 2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]-9-fluorenone IUPAC Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carbonyl]fluoren-9-one Traditional Name: 2-(4-tosyl-1,4-diazepane-1-carbonyl)fluoren-9-one Formula: C26H24N2O4S MolecularWeight: 460.54476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC4=C(C=C3)C5=CC=CC=C5C4=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC4=C(C=C3)C5=CC=CC=C5C4=O

InChI

InChI=1S/C26H24N2O4S/c1-18-7-10-20(11-8-18)33(31,32)28-14-4-13-27(15-16-28)26(30)19-9-12-22-21-5-2-3-6-23(21)25(29)24(22)17-19/h2-3,5-12,17H,4,13-16H2,1H3