3-nitro-N-propan-2-yl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzenesulfonamide

Systemtic Name: 3-nitro-N-propan-2-yl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzenesulfonamide Openeye Name: N-isopropyl-3-nitro-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzenesulfonamide CAS Name: 3-nitro-N-propan-2-yl-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]benzenesulfonamide IUPAC Name: 3-nitro-N-propan-2-yl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzenesulfonamide Traditional Name: N-isopropyl-3-nitro-4-(4-pyridin-1-ium-2-ylpiperazino)benzenesulfonamide Formula: C18H24N5O4S+ MolecularWeight: 406.47926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O4S/c1-14(2)20-28(26,27)15-6-7-16(17(13-15)23(24)25)21-9-11-22(12-10-21)18-5-3-4-8-19-18/h3-8,13-14,20H,9-12H2,1-2H3/p+1