N-tert-butyl-3-nitro-4-(3-piperidin-1-ium-1-ylpropylamino)benzenesulfonamide

Systemtic Name: N-tert-butyl-3-nitro-4-(3-piperidin-1-ium-1-ylpropylamino)benzenesulfonamide Openeye Name: N-tert-butyl-3-nitro-4-(3-piperidin-1-ium-1-ylpropylamino)benzenesulfonamide CAS Name: N-tert-butyl-3-nitro-4-[3-(1-piperidin-1-iumyl)propylamino]benzenesulfonamide IUPAC Name: N-tert-butyl-3-nitro-4-(3-piperidin-1-ium-1-ylpropylamino)benzenesulfonamide Traditional Name: N-tert-butyl-3-nitro-4-(3-piperidin-1-ium-1-ylpropylamino)benzenesulfonamide Formula: C18H31N4O4S+ MolecularWeight: 399.52814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCCC[NH+]2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCCC[NH+]2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C18H30N4O4S/c1-18(2,3)20-27(25,26)15-8-9-16(17(14-15)22(23)24)19-10-7-13-21-11-5-4-6-12-21/h8-9,14,19-20H,4-7,10-13H2,1-3H3/p+1