methanesulfonamide; 6-[(E)-2-(5-methylsulfanyl-2-phenylmethoxy-phenyl)ethenyl]pyridine-3-carboxylic acid

Systemtic Name: methanesulfonamide; 6-[(E)-2-(5-methylsulfanyl-2-phenylmethoxy-phenyl)ethenyl]pyridine-3-carboxylic acid Openeye Name: 6-[(E)-2-(2-benzyloxy-5-methylsulfanyl-phenyl)vinyl]pyridine-3-carboxylic acid; methanesulfonamide CAS Name: methanesulfonamide; 6-[(E)-2-[5-(methylthio)-2-phenylmethoxyphenyl]ethenyl]-3-pyridinecarboxylic acid IUPAC Name: methanesulfonamide; 6-[(E)-2-(5-methylsulfanyl-2-phenylmethoxyphenyl)ethenyl]pyridine-3-carboxylic acid Traditional Name: 6-[(E)-2-[2-benzoxy-5-(methylthio)phenyl]vinyl]nicotinic acid; methanesulfonamide Formula: C23H24N2O5S2 MolecularWeight: 472.57706

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)OCC2=CC=CC=C2)C=CC3=NC=C(C=C3)C(=O)O.CS(=O)(=O)N

Isomeric SMILES

CSC1=CC(=C(C=C1)OCC2=CC=CC=C2)/C=C/C3=NC=C(C=C3)C(=O)O.CS(=O)(=O)N

InChI

InChI=1S/C22H19NO3S.CH5NO2S/c1-27-20-11-12-21(26-15-16-5-3-2-4-6-16)17(13-20)7-9-19-10-8-18(14-23-19)22(24)25;1-5(2,3)4/h2-14H,15H2,1H3,(H,24,25);1H3,(H2,2,3,4)/b9-7+;