N-tert-butyl-4-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazin-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazin-1-yl]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)-1-piperazinyl]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazino]-3-nitro-benzenesulfonamide Formula: C22H29N6O4S+ MolecularWeight: 473.56846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N6O4S/c1-22(2,3)24-33(31,32)18-7-8-19(20(14-18)28(29)30)26-12-10-25(11-13-26)15-17-16-27-9-5-4-6-21(27)23-17/h4-9,14,16,24H,10-13,15H2,1-3H3/p+1