N-tert-butyl-3-nitro-4-[(1-propylpiperidin-1-ium-4-yl)amino]benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H30N4O4S/c1-5-10-21-11-8-14(9-12-21)19-16-7-6-15(13-17(16)22(23)24)27(25,26)20-18(2,3)4/h6-7,13-14,19-20H,5,8-12H2,1-4H3/p+1