2-[(2R)-4-methylsulfonyl-1-oxidanylidene-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]butan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[(2R)-4-methylsulfonyl-1-oxidanylidene-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]butan-2-yl]isoindole-1,3-dione Openeye Name: 2-[(1R)-3-methylsulfonyl-1-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carbonyl]propyl]isoindoline-1,3-dione CAS Name: 2-[(2R)-4-methylsulfonyl-1-oxo-1-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]butan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[(2R)-4-methylsulfonyl-1-oxo-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]butan-2-yl]isoindole-1,3-dione Traditional Name: 2-[(1R)-1-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-carbonyl]-3-mesyl-propyl]isoindoline-1,3-quinone Formula: C23H31N4O6S+ MolecularWeight: 491.58044

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)N1CC[NH+](CC1)CC(=O)N2CCCC2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CS(=O)(=O)CC[C@H](C(=O)N1CC[NH+](CC1)CC(=O)N2CCCC2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H30N4O6S/c1-34(32,33)15-8-19(27-21(29)17-6-2-3-7-18(17)22(27)30)23(31)26-13-11-24(12-14-26)16-20(28)25-9-4-5-10-25/h2-3,6-7,19H,4-5,8-16H2,1H3/p+1/t19-/m1/s1