2-[4-(2-methyl-1-oxidanidyl-quinolin-1-ium-4-yl)sulfonylphenyl]benzenecarbonitrile

Systemtic Name: 2-[4-(2-methyl-1-oxidanidyl-quinolin-1-ium-4-yl)sulfonylphenyl]benzenecarbonitrile Openeye Name: 2-[4-(2-methyl-1-oxido-quinolin-1-ium-4-yl)sulfonylphenyl]benzonitrile CAS Name: 2-[4-[(2-methyl-1-oxido-4-quinolin-1-iumyl)sulfonyl]phenyl]benzonitrile IUPAC Name: 2-[4-(2-methyl-1-oxidoquinolin-1-ium-4-yl)sulfonylphenyl]benzonitrile Traditional Name: 2-[4-(2-methyl-1-oxido-quinolin-1-ium-4-yl)sulfonylphenyl]benzonitrile Formula: C23H16N2O3S MolecularWeight: 400.44974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2C(=C1)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4C#N)[O-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2C(=C1)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4C#N)[O-]

InChI

InChI=1S/C23H16N2O3S/c1-16-14-23(21-8-4-5-9-22(21)25(16)26)29(27,28)19-12-10-17(11-13-19)20-7-3-2-6-18(20)15-24/h2-14H,1H3