[[4-[(4-chlorophenyl)amino]phthalazin-1-yl]methoxysulfonylmethyl-pyridin-2-yloxycarbonyl-amino]methanesulfonic acid

Systemtic Name: [[4-[(4-chlorophenyl)amino]phthalazin-1-yl]methoxysulfonylmethyl-pyridin-2-yloxycarbonyl-amino]methanesulfonic acid Openeye Name: [[4-(4-chloroanilino)phthalazin-1-yl]methoxysulfonylmethyl-(2-pyridyloxycarbonyl)amino]methanesulfonic acid CAS Name: [[4-(4-chloroanilino)-1-phthalazinyl]methoxysulfonylmethyl-[oxo(2-pyridinyloxy)methyl]amino]methanesulfonic acid IUPAC Name: [[4-(4-chloroanilino)phthalazin-1-yl]methoxysulfonylmethyl-pyridin-2-yloxycarbonylamino]methanesulfonic acid Traditional Name: [[4-(4-chloroanilino)phthalazin-1-yl]methoxysulfonylmethyl-(2-pyridyloxycarbonyl)amino]methanesulfonic acid Formula: C23H20ClN5O8S2 MolecularWeight: 594.0166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2NC3=CC=C(C=C3)Cl)COS(=O)(=O)CN(CS(=O)(=O)O)C(=O)OC4=CC=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2NC3=CC=C(C=C3)Cl)COS(=O)(=O)CN(CS(=O)(=O)O)C(=O)OC4=CC=CC=N4

InChI

InChI=1S/C23H20ClN5O8S2/c24-16-8-10-17(11-9-16)26-22-19-6-2-1-5-18(19)20(27-28-22)13-36-39(34,35)15-29(14-38(31,32)33)23(30)37-21-7-3-4-12-25-21/h1-12H,13-15H2,(H,26,28)(H,31,32,33)