N,N-dimethyl-2-[2-oxidanylidene-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethyl]sulfanyl-1,3-benzoxazole-5-sulfonamide

Systemtic Name: N,N-dimethyl-2-[2-oxidanylidene-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethyl]sulfanyl-1,3-benzoxazole-5-sulfonamide Openeye Name: N,N-dimethyl-2-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethyl]sulfanyl-1,3-benzoxazole-5-sulfonamide CAS Name: N,N-dimethyl-2-[[2-oxo-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]ethyl]thio]-1,3-benzoxazole-5-sulfonamide IUPAC Name: N,N-dimethyl-2-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]ethyl]sulfanyl-1,3-benzoxazole-5-sulfonamide Traditional Name: 2-[[2-keto-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]ethyl]thio]-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide Formula: C21H30N5O5S2+ MolecularWeight: 496.6234

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C21H29N5O5S2/c1-23(2)33(29,30)16-5-6-18-17(13-16)22-21(31-18)32-15-20(28)26-11-9-24(10-12-26)14-19(27)25-7-3-4-8-25/h5-6,13H,3-4,7-12,14-15H2,1-2H3/p+1