N-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]-4-nitro-benzamide; 4-methylbenzenesulfonate

Systemtic Name: N-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]-4-nitro-benzamide; 4-methylbenzenesulfonate Openeye Name: N-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]-4-nitro-benzamide; 4-methylbenzenesulfonate CAS Name: N-[4-[(1-ethyl-4-pyridin-1-iumyl)amino]phenyl]-4-nitrobenzamide; 4-methylbenzenesulfonate IUPAC Name: N-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]-4-nitrobenzamide; 4-methylbenzenesulfonate Traditional Name: N-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]-4-nitro-benzamide tosylate Formula: C27H26N4O6S MolecularWeight: 534.58354

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C20H18N4O3.C7H8O3S/c1-2-23-13-11-18(12-14-23)21-16-5-7-17(8-6-16)22-20(25)15-3-9-19(10-4-15)24(26)27;1-6-2-4-7(5-3-6)11(8,9)10/h3-14H,2H2,1H3,(H,22,25);2-5H,1H3,(H,8,9,10)