methyl 3-[5-[[2-fluoranyl-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]carbamoyl]-3-methyl-pyrazol-1-yl]naphthalene-2-sulfonate

Systemtic Name: methyl 3-[5-[[2-fluoranyl-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]carbamoyl]-3-methyl-pyrazol-1-yl]naphthalene-2-sulfonate Openeye Name: methyl 3-[5-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]carbamoyl]-3-methyl-pyrazol-1-yl]naphthalene-2-sulfonate CAS Name: 3-[5-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)anilino]-oxomethyl]-3-methyl-1-pyrazolyl]-2-naphthalenesulfonic acid methyl ester IUPAC Name: methyl 3-[5-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]carbamoyl]-3-methylpyrazol-1-yl]naphthalene-2-sulfonate Traditional Name: 3-[5-[[2-fluoro-4-(1-methyl-2-imidazolin-2-yl)phenyl]carbamoyl]-3-methyl-pyrazol-1-yl]naphthalene-2-sulfonic acid methyl ester Formula: C26H24FN5O4S MolecularWeight: 521.563263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)NC2=C(C=C(C=C2)C3=NCCN3C)F)C4=CC5=CC=CC=C5C=C4S(=O)(=O)OC

Isomeric SMILES

CC1=NN(C(=C1)C(=O)NC2=C(C=C(C=C2)C3=NCCN3C)F)C4=CC5=CC=CC=C5C=C4S(=O)(=O)OC

InChI

InChI=1S/C26H24FN5O4S/c1-16-12-23(26(33)29-21-9-8-19(13-20(21)27)25-28-10-11-31(25)2)32(30-16)22-14-17-6-4-5-7-18(17)15-24(22)37(34,35)36-3/h4-9,12-15H,10-11H2,1-3H3,(H,29,33)