4-[2-methyl-1-methylsulfonyl-3-(1-oxidanidylpyrazin-1-ium-2-yl)propan-2-yl]oxybenzenecarbonitrile

Systemtic Name: 4-[2-methyl-1-methylsulfonyl-3-(1-oxidanidylpyrazin-1-ium-2-yl)propan-2-yl]oxybenzenecarbonitrile Openeye Name: 4-[1-methyl-1-(methylsulfonylmethyl)-2-(1-oxidopyrazin-1-ium-2-yl)ethoxy]benzonitrile CAS Name: 4-[2-methyl-1-methylsulfonyl-3-(1-oxido-2-pyrazin-1-iumyl)propan-2-yl]oxybenzonitrile IUPAC Name: 4-[2-methyl-1-methylsulfonyl-3-(1-oxidopyrazin-1-ium-2-yl)propan-2-yl]oxybenzonitrile Traditional Name: 4-[1-(mesylmethyl)-1-methyl-2-(1-oxidopyrazin-1-ium-2-yl)ethoxy]benzonitrile Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=[N+](C=CN=C1)[O-])(CS(=O)(=O)C)OC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(CC1=[N+](C=CN=C1)[O-])(CS(=O)(=O)C)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H17N3O4S/c1-16(12-24(2,21)22,9-14-11-18-7-8-19(14)20)23-15-5-3-13(10-17)4-6-15/h3-8,11H,9,12H2,1-2H3