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

Systemtic Name: N,N-dimethyl-2-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]sulfanyl-1,3-benzoxazole-5-sulfonamide Openeye Name: N,N-dimethyl-2-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]sulfanyl-1,3-benzoxazole-5-sulfonamide CAS Name: N,N-dimethyl-2-[[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]thio]-1,3-benzoxazole-5-sulfonamide IUPAC Name: N,N-dimethyl-2-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]sulfanyl-1,3-benzoxazole-5-sulfonamide Traditional Name: 2-[[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]thio]-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide Formula: C20H24N5O4S2+ MolecularWeight: 462.56566

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H23N5O4S2/c1-23(2)31(27,28)15-6-7-17-16(13-15)22-20(29-17)30-14-19(26)25-11-9-24(10-12-25)18-5-3-4-8-21-18/h3-8,13H,9-12,14H2,1-2H3/p+1