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

Systemtic Name: methyl 3-[5-[(4-carbamimidoyl-2-fluoranyl-phenyl)carbamoyl]-3-methyl-pyrazol-1-yl]naphthalene-2-sulfonate Openeye Name: methyl 3-[5-[(4-carbamimidoyl-2-fluoro-phenyl)carbamoyl]-3-methyl-pyrazol-1-yl]naphthalene-2-sulfonate CAS Name: 3-[5-[(4-carbamimidoyl-2-fluoroanilino)-oxomethyl]-3-methyl-1-pyrazolyl]-2-naphthalenesulfonic acid methyl ester IUPAC Name: methyl 3-[5-[(4-carbamimidoyl-2-fluorophenyl)carbamoyl]-3-methylpyrazol-1-yl]naphthalene-2-sulfonate Traditional Name: 3-[5-[(4-amidino-2-fluoro-phenyl)carbamoyl]-3-methyl-pyrazol-1-yl]naphthalene-2-sulfonic acid methyl ester Formula: C23H20FN5O4S MolecularWeight: 481.499403

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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)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)F)C3=CC4=CC=CC=C4C=C3S(=O)(=O)OC

InChI

InChI=1S/C23H20FN5O4S/c1-13-9-20(23(30)27-18-8-7-16(22(25)26)10-17(18)24)29(28-13)19-11-14-5-3-4-6-15(14)12-21(19)34(31,32)33-2/h3-12H,1-2H3,(H3,25,26)(H,27,30)