1-[4-(phenylsulfonyl)piperazin-1-yl]-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]butane-1,4-dione

Systemtic Name: 1-[4-(phenylsulfonyl)piperazin-1-yl]-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]butane-1,4-dione Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-4-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]butane-1,4-dione CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-4-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]butane-1,4-dione IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]butane-1,4-dione Traditional Name: 1-(4-besylpiperazino)-4-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]butane-1,4-dione Formula: C24H32N5O4S+ MolecularWeight: 486.60698

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H31N5O4S/c30-23(27-14-12-26(13-15-27)20-21-8-10-25-11-9-21)6-7-24(31)28-16-18-29(19-17-28)34(32,33)22-4-2-1-3-5-22/h1-5,8-11H,6-7,12-20H2/p+1