4-[[4-azanyl-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-N,N-diethyl-piperazin-4-ium-1-sulfonamide

Systemtic Name: 4-[[4-azanyl-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-N,N-diethyl-piperazin-4-ium-1-sulfonamide Openeye Name: 4-[(4-amino-1,3-dioxo-isoindolin-2-yl)methyl]-N,N-diethyl-piperazin-4-ium-1-sulfonamide CAS Name: 4-[(4-amino-1,3-dioxo-2-isoindolyl)methyl]-N,N-diethyl-1-piperazin-4-iumsulfonamide IUPAC Name: 4-[(4-amino-1,3-dioxoisoindol-2-yl)methyl]-N,N-diethylpiperazin-4-ium-1-sulfonamide Traditional Name: 4-[(4-amino-1,3-diketo-isoindolin-2-yl)methyl]-N,N-diethyl-piperazin-4-ium-1-sulfonamide Formula: C17H26N5O4S+ MolecularWeight: 396.48444

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N

Isomeric SMILES

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N

InChI

InChI=1S/C17H25N5O4S/c1-3-20(4-2)27(25,26)21-10-8-19(9-11-21)12-22-16(23)13-6-5-7-14(18)15(13)17(22)24/h5-7H,3-4,8-12,18H2,1-2H3/p+1