3-nitro-N-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amino]benzenesulfonamide

Systemtic Name: 3-nitro-N-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amino]benzenesulfonamide Openeye Name: 3-nitro-N-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amino]benzenesulfonamide CAS Name: 3-nitro-N-phenyl-4-[(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)amino]benzenesulfonamide IUPAC Name: 3-nitro-N-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amino]benzenesulfonamide Traditional Name: 3-nitro-N-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amino]benzenesulfonamide Formula: C21H29N4O4S+ MolecularWeight: 433.54436

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H28N4O4S/c1-20(2)13-16(14-21(3,4)24-20)22-18-11-10-17(12-19(18)25(26)27)30(28,29)23-15-8-6-5-7-9-15/h5-12,16,22-24H,13-14H2,1-4H3/p+1