[[(E)-but-2-enoyl]-(4-pyridin-4-ylphenyl)amino] methanesulfonate

Systemtic Name: [[(E)-but-2-enoyl]-(4-pyridin-4-ylphenyl)amino] methanesulfonate Openeye Name: [N-[(E)-but-2-enoyl]-4-(4-pyridyl)anilino] methanesulfonate CAS Name: methanesulfonic acid (N-[(E)-1-oxobut-2-enyl]-4-pyridin-4-ylanilino) ester IUPAC Name: (N-[(E)-but-2-enoyl]-4-pyridin-4-ylanilino) methanesulfonate Traditional Name: methanesulfonic acid [N-[(E)-but-2-enoyl]-4-(4-pyridyl)anilino] ester Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)N(C1=CC=C(C=C1)C2=CC=NC=C2)OS(=O)(=O)C

Isomeric SMILES

C/C=C/C(=O)N(C1=CC=C(C=C1)C2=CC=NC=C2)OS(=O)(=O)C

InChI

InChI=1S/C16H16N2O4S/c1-3-4-16(19)18(22-23(2,20)21)15-7-5-13(6-8-15)14-9-11-17-12-10-14/h3-12H,1-2H3/b4-3+