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

Systemtic Name: methyl 3-[5-[[4-(N,N-dimethylcarbamimidoyl)-2-fluoranyl-phenyl]carbamoyl]-3-methyl-pyrazol-1-yl]naphthalene-2-sulfonate Openeye Name: methyl 3-[5-[[4-(N,N-dimethylcarbamimidoyl)-2-fluoro-phenyl]carbamoyl]-3-methyl-pyrazol-1-yl]naphthalene-2-sulfonate CAS Name: 3-[5-[[4-[dimethylamino(imino)methyl]-2-fluoroanilino]-oxomethyl]-3-methyl-1-pyrazolyl]-2-naphthalenesulfonic acid methyl ester IUPAC Name: methyl 3-[5-[[4-(N,N-dimethylcarbamimidoyl)-2-fluorophenyl]carbamoyl]-3-methylpyrazol-1-yl]naphthalene-2-sulfonate Traditional Name: 3-[5-[[4-(N,N-dimethylamidino)-2-fluoro-phenyl]carbamoyl]-3-methyl-pyrazol-1-yl]naphthalene-2-sulfonic acid methyl ester Formula: C25H24FN5O4S MolecularWeight: 509.552563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)NC2=C(C=C(C=C2)C(=N)N(C)C)F)C3=CC4=CC=CC=C4C=C3S(=O)(=O)OC

Isomeric SMILES

CC1=NN(C(=C1)C(=O)NC2=C(C=C(C=C2)C(=N)N(C)C)F)C3=CC4=CC=CC=C4C=C3S(=O)(=O)OC

InChI

InChI=1S/C25H24FN5O4S/c1-15-11-22(25(32)28-20-10-9-18(12-19(20)26)24(27)30(2)3)31(29-15)21-13-16-7-5-6-8-17(16)14-23(21)36(33,34)35-4/h5-14,27H,1-4H3,(H,28,32)