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

Systemtic Name: 3-nitro-N-propan-2-yl-4-(4-pyridin-1-ium-4-ylpiperazin-1-yl)benzenesulfonamide Openeye Name: N-isopropyl-3-nitro-4-(4-pyridin-1-ium-4-ylpiperazin-1-yl)benzenesulfonamide CAS Name: 3-nitro-N-propan-2-yl-4-[4-(4-pyridin-1-iumyl)-1-piperazinyl]benzenesulfonamide IUPAC Name: 3-nitro-N-propan-2-yl-4-(4-pyridin-1-ium-4-ylpiperazin-1-yl)benzenesulfonamide Traditional Name: N-isopropyl-3-nitro-4-(4-pyridin-1-ium-4-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=[NH+]C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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