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

Systemtic Name: methyl 3-[5-[[2-fluoranyl-4-(C-piperidin-1-ylcarbonimidoyl)phenyl]carbamoyl]-3-methyl-pyrazol-1-yl]naphthalene-2-sulfonate Openeye Name: methyl 3-[5-[[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]carbamoyl]-3-methyl-pyrazol-1-yl]naphthalene-2-sulfonate CAS Name: 3-[5-[[2-fluoro-4-[imino(1-piperidinyl)methyl]anilino]-oxomethyl]-3-methyl-1-pyrazolyl]-2-naphthalenesulfonic acid methyl ester IUPAC Name: methyl 3-[5-[[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]carbamoyl]-3-methylpyrazol-1-yl]naphthalene-2-sulfonate Traditional Name: 3-[5-[[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]carbamoyl]-3-methyl-pyrazol-1-yl]naphthalene-2-sulfonic acid methyl ester Formula: C28H28FN5O4S MolecularWeight: 549.616423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)NC2=C(C=C(C=C2)C(=N)N3CCCCC3)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)N3CCCCC3)F)C4=CC5=CC=CC=C5C=C4S(=O)(=O)OC

InChI

InChI=1S/C28H28FN5O4S/c1-18-14-25(28(35)31-23-11-10-21(15-22(23)29)27(30)33-12-6-3-7-13-33)34(32-18)24-16-19-8-4-5-9-20(19)17-26(24)39(36,37)38-2/h4-5,8-11,14-17,30H,3,6-7,12-13H2,1-2H3,(H,31,35)