4-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-(2-imidazo[1,2-a]pyridinylmethyl)-1-piperazinyl]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazino]-N-methyl-3-nitro-benzenesulfonamide Formula: C19H22N6O4S MolecularWeight: 430.48078

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CN4C=CC=CC4=N3)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CN4C=CC=CC4=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N6O4S/c1-20-30(28,29)16-5-6-17(18(12-16)25(26)27)23-10-8-22(9-11-23)13-15-14-24-7-3-2-4-19(24)21-15/h2-7,12,14,20H,8-11,13H2,1H3