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

Systemtic Name: N-tert-butyl-3-nitro-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzenesulfonamide Openeye Name: N-tert-butyl-3-nitro-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzenesulfonamide CAS Name: N-tert-butyl-3-nitro-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]benzenesulfonamide IUPAC Name: N-tert-butyl-3-nitro-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzenesulfonamide Traditional Name: N-tert-butyl-3-nitro-4-(4-pyridin-1-ium-2-ylpiperazino)benzenesulfonamide Formula: C19H26N5O4S+ MolecularWeight: 420.50584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O4S/c1-19(2,3)21-29(27,28)15-7-8-16(17(14-15)24(25)26)22-10-12-23(13-11-22)18-6-4-5-9-20-18/h4-9,14,21H,10-13H2,1-3H3/p+1