(E)-N-methyl-N-[4-[methyl(2-pyridin-2-ylethyl)sulfamoyl]phenyl]-3-(4-methylsulfonylphenyl)prop-2-enamide hydrochloride

Systemtic Name: (E)-N-methyl-N-[4-[methyl(2-pyridin-2-ylethyl)sulfamoyl]phenyl]-3-(4-methylsulfonylphenyl)prop-2-enamide hydrochloride Openeye Name: (E)-N-methyl-N-[4-[methyl-[2-(2-pyridyl)ethyl]sulfamoyl]phenyl]-3-(4-methylsulfonylphenyl)prop-2-enamide hydrochloride CAS Name: (E)-N-methyl-N-[4-[methyl-[2-(2-pyridinyl)ethyl]sulfamoyl]phenyl]-3-(4-methylsulfonylphenyl)-2-propenamide hydrochloride IUPAC Name: (E)-N-methyl-N-[4-[methyl(2-pyridin-2-ylethyl)sulfamoyl]phenyl]-3-(4-methylsulfonylphenyl)prop-2-enamide hydrochloride Traditional Name: (E)-3-(4-mesylphenyl)-N-methyl-N-[4-[methyl-[2-(2-pyridyl)ethyl]sulfamoyl]phenyl]acrylamide hydrochloride Formula: C25H28ClN3O5S2 MolecularWeight: 550.08992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=N1)S(=O)(=O)C2=CC=C(C=C2)N(C)C(=O)C=CC3=CC=C(C=C3)S(=O)(=O)C.Cl

Isomeric SMILES

CN(CCC1=CC=CC=N1)S(=O)(=O)C2=CC=C(C=C2)N(C)C(=O)/C=C/C3=CC=C(C=C3)S(=O)(=O)C.Cl

InChI

InChI=1S/C25H27N3O5S2.ClH/c1-27(19-17-21-6-4-5-18-26-21)35(32,33)24-14-10-22(11-15-24)28(2)25(29)16-9-20-7-12-23(13-8-20)34(3,30)31;/h4-16,18H,17,19H2,1-3H3;1H/b16-9+;