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

Systemtic Name: (3R)-1-(4-bromophenyl)-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-bromophenyl)pyrrolidine-2,5-dione CAS Name: (3R)-3-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-1-(4-bromophenyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-3-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-1-(4-bromophenyl)pyrrolidine-2,5-dione Traditional Name: (3R)-3-(4-besylpiperazin-1-ium-1-yl)-1-(4-bromophenyl)pyrrolidine-2,5-quinone Formula: C20H21BrN3O4S+ MolecularWeight: 479.36744

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CC(=O)N(C2=O)C3=CC=C(C=C3)Br)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1[C@@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)Br)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H20BrN3O4S/c21-15-6-8-16(9-7-15)24-19(25)14-18(20(24)26)22-10-12-23(13-11-22)29(27,28)17-4-2-1-3-5-17/h1-9,18H,10-14H2/p+1/t18-/m1/s1