(3R)-1-(4-hexoxyphenyl)-3-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-(4-hexoxyphenyl)-3-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3R)-3-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-1-(4-hexoxyphenyl)pyrrolidine-2,5-dione CAS Name: (3R)-3-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-1-(4-hexoxyphenyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-3-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-1-(4-hexoxyphenyl)pyrrolidine-2,5-dione Traditional Name: (3R)-3-(4-besylpiperazin-1-ium-1-yl)-1-(4-hexoxyphenyl)pyrrolidine-2,5-quinone Formula: C26H34N3O5S+ MolecularWeight: 500.63026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H33N3O5S/c1-2-3-4-8-19-34-22-13-11-21(12-14-22)29-25(30)20-24(26(29)31)27-15-17-28(18-16-27)35(32,33)23-9-6-5-7-10-23/h5-7,9-14,24H,2-4,8,15-20H2,1H3/p+1/t24-/m1/s1