methyl 3-[5-[[2-fluoranyl-4-(C-pyrrolidin-1-ylcarbonimidoyl)phenyl]carbamoyl]-3-methyl-pyrazol-1-yl]naphthalene-2-sulfonate

Systemtic Name: methyl 3-[5-[[2-fluoranyl-4-(C-pyrrolidin-1-ylcarbonimidoyl)phenyl]carbamoyl]-3-methyl-pyrazol-1-yl]naphthalene-2-sulfonate Openeye Name: methyl 3-[5-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)phenyl]carbamoyl]-3-methyl-pyrazol-1-yl]naphthalene-2-sulfonate CAS Name: 3-[5-[[2-fluoro-4-[imino(1-pyrrolidinyl)methyl]anilino]-oxomethyl]-3-methyl-1-pyrazolyl]-2-naphthalenesulfonic acid methyl ester IUPAC Name: methyl 3-[5-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)phenyl]carbamoyl]-3-methylpyrazol-1-yl]naphthalene-2-sulfonate Traditional Name: 3-[5-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)phenyl]carbamoyl]-3-methyl-pyrazol-1-yl]naphthalene-2-sulfonic acid methyl ester Formula: C27H26FN5O4S MolecularWeight: 535.589843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)NC2=C(C=C(C=C2)C(=N)N3CCCC3)F)C4=CC5=CC=CC=C5C=C4S(=O)(=O)OC

Isomeric SMILES

CC1=NN(C(=C1)C(=O)NC2=C(C=C(C=C2)C(=N)N3CCCC3)F)C4=CC5=CC=CC=C5C=C4S(=O)(=O)OC

InChI

InChI=1S/C27H26FN5O4S/c1-17-13-24(27(34)30-22-10-9-20(14-21(22)28)26(29)32-11-5-6-12-32)33(31-17)23-15-18-7-3-4-8-19(18)16-25(23)38(35,36)37-2/h3-4,7-10,13-16,29H,5-6,11-12H2,1-2H3,(H,30,34)