N,N-diethyl-2-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazin-1-yl]-5-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-2-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazin-1-yl]-5-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-2-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazin-1-yl]-5-nitro-benzenesulfonamide CAS Name: N,N-diethyl-2-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)-1-piperazinyl]-5-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-2-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazin-1-yl]-5-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-2-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazino]-5-nitro-benzenesulfonamide Formula: C22H29N6O4S+ MolecularWeight: 473.56846

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)CC3=C[N+]4=CC=CC=C4N3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)CC3=C[N+]4=CC=CC=C4N3

InChI

InChI=1S/C22H28N6O4S/c1-3-27(4-2)33(31,32)21-15-19(28(29)30)8-9-20(21)25-13-11-24(12-14-25)16-18-17-26-10-6-5-7-22(26)23-18/h5-10,15,17H,3-4,11-14,16H2,1-2H3/p+1