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

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

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)C3=CC=[NH+]C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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