4-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]fluoren-9-one

Systemtic Name: 4-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]fluoren-9-one Openeye Name: 4-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carbonyl]fluoren-9-one CAS Name: 4-[[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-9-fluorenone IUPAC Name: 4-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carbonyl]fluoren-9-one Traditional Name: 4-[4-(4-mesylbenzyl)-1,4-diazepane-1-carbonyl]fluoren-9-one Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=CC4=C3C5=CC=CC=C5C4=O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=CC4=C3C5=CC=CC=C5C4=O

InChI

InChI=1S/C27H26N2O4S/c1-34(32,33)20-12-10-19(11-13-20)18-28-14-5-15-29(17-16-28)27(31)24-9-4-8-23-25(24)21-6-2-3-7-22(21)26(23)30/h2-4,6-13H,5,14-18H2,1H3