ethyl 4-[4-[[2,5-bis(oxidanylidene)pyrrolidin-1-yl]methyl]piperazin-4-ium-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[[2,5-bis(oxidanylidene)pyrrolidin-1-yl]methyl]piperazin-4-ium-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(2,5-dioxo-1-pyrrolidinyl)methyl]-1-piperazin-4-iumyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(succinimidomethyl)piperazin-4-ium-1-yl]sulfonylbenzoic acid ethyl ester Formula: C18H24N3O6S+ MolecularWeight: 410.46466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=O)CCC3=O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=O)CCC3=O

InChI

InChI=1S/C18H23N3O6S/c1-2-27-18(24)14-3-5-15(6-4-14)28(25,26)20-11-9-19(10-12-20)13-21-16(22)7-8-17(21)23/h3-6H,2,7-13H2,1H3/p+1