2,7-bis[[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl]fluoren-9-one

Systemtic Name: 2,7-bis[[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl]fluoren-9-one Openeye Name: 2,7-bis[(4-benzylpiperazin-4-ium-1-yl)sulfonyl]fluoren-9-one CAS Name: 2,7-bis[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]-9-fluorenone IUPAC Name: 2,7-bis[(4-benzylpiperazin-4-ium-1-yl)sulfonyl]fluoren-9-one Traditional Name: 2,7-bis[(4-benzylpiperazin-4-ium-1-yl)sulfonyl]fluoren-9-one Formula: C35H38N4O5S2+2 MolecularWeight: 658.83002

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)C5=C(C4=O)C=C(C=C5)S(=O)(=O)N6CC[NH+](CC6)CC7=CC=CC=C7

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)C5=C(C4=O)C=C(C=C5)S(=O)(=O)N6CC[NH+](CC6)CC7=CC=CC=C7

InChI

InChI=1S/C35H36N4O5S2/c40-35-33-23-29(45(41,42)38-19-15-36(16-20-38)25-27-7-3-1-4-8-27)11-13-31(33)32-14-12-30(24-34(32)35)46(43,44)39-21-17-37(18-22-39)26-28-9-5-2-6-10-28/h1-14,23-24H,15-22,25-26H2/p+2