2,7-bis[[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl]-4,5-dinitro-fluoren-9-one

Systemtic Name: 2,7-bis[[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl]-4,5-dinitro-fluoren-9-one Openeye Name: 2,7-bis[[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl]-4,5-dinitro-fluoren-9-one CAS Name: 2,7-bis[[4-(4-chlorophenyl)-1-piperazinyl]sulfonyl]-4,5-dinitro-9-fluorenone IUPAC Name: 2,7-bis[[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl]-4,5-dinitrofluoren-9-one Traditional Name: 2,7-bis[[4-(4-chlorophenyl)piperazino]sulfonyl]-4,5-dinitro-fluoren-9-one Formula: C33H28Cl2N6O9S2 MolecularWeight: 787.64622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC(=C4C(=C3)C(=O)C5=CC(=CC(=C54)[N+](=O)[O-])S(=O)(=O)N6CCN(CC6)C7=CC=C(C=C7)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC(=C4C(=C3)C(=O)C5=CC(=CC(=C54)[N+](=O)[O-])S(=O)(=O)N6CCN(CC6)C7=CC=C(C=C7)Cl)[N+](=O)[O-]

InChI

InChI=1S/C33H28Cl2N6O9S2/c34-21-1-5-23(6-2-21)36-9-13-38(14-10-36)51(47,48)25-17-27-31(29(19-25)40(43)44)32-28(33(27)42)18-26(20-30(32)41(45)46)52(49,50)39-15-11-37(12-16-39)24-7-3-22(35)4-8-24/h1-8,17-20H,9-16H2