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

Systemtic Name: 4,5-dinitro-2,7-bis[[4-(phenylmethyl)piperazin-1-yl]sulfonyl]fluoren-9-one Openeye Name: 2,7-bis[(4-benzylpiperazin-1-yl)sulfonyl]-4,5-dinitro-fluoren-9-one CAS Name: 4,5-dinitro-2,7-bis[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]-9-fluorenone IUPAC Name: 2,7-bis[(4-benzylpiperazin-1-yl)sulfonyl]-4,5-dinitrofluoren-9-one Traditional Name: 2,7-bis[(4-benzylpiperazino)sulfonyl]-4,5-dinitro-fluoren-9-one Formula: C35H34N6O9S2 MolecularWeight: 746.80926

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC(=C4C(=C3)C(=O)C5=CC(=CC(=C54)[N+](=O)[O-])S(=O)(=O)N6CCN(CC6)CC7=CC=CC=C7)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC(=C4C(=C3)C(=O)C5=CC(=CC(=C54)[N+](=O)[O-])S(=O)(=O)N6CCN(CC6)CC7=CC=CC=C7)[N+](=O)[O-]

InChI

InChI=1S/C35H34N6O9S2/c42-35-29-19-27(51(47,48)38-15-11-36(12-16-38)23-25-7-3-1-4-8-25)21-31(40(43)44)33(29)34-30(35)20-28(22-32(34)41(45)46)52(49,50)39-17-13-37(14-18-39)24-26-9-5-2-6-10-26/h1-10,19-22H,11-18,23-24H2