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

Systemtic Name: [[4-[(4-chlorophenyl)amino]phthalazin-1-yl]oxymethoxysulfonylmethyl-pyridin-2-yloxycarbonyl-amino]methanesulfonic acid Openeye Name: [[4-(4-chloroanilino)phthalazin-1-yl]oxymethoxysulfonylmethyl-(2-pyridyloxycarbonyl)amino]methanesulfonic acid CAS Name: [[4-(4-chloroanilino)-1-phthalazinyl]oxymethoxysulfonylmethyl-[oxo(2-pyridinyloxy)methyl]amino]methanesulfonic acid IUPAC Name: [[4-(4-chloroanilino)phthalazin-1-yl]oxymethoxysulfonylmethyl-pyridin-2-yloxycarbonylamino]methanesulfonic acid Traditional Name: [[4-(4-chloroanilino)phthalazin-1-yl]oxymethoxysulfonylmethyl-(2-pyridyloxycarbonyl)amino]methanesulfonic acid Formula: C23H20ClN5O9S2 MolecularWeight: 610.016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2OCOS(=O)(=O)CN(CS(=O)(=O)O)C(=O)OC3=CC=CC=N3)NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2OCOS(=O)(=O)CN(CS(=O)(=O)O)C(=O)OC3=CC=CC=N3)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H20ClN5O9S2/c24-16-8-10-17(11-9-16)26-21-18-5-1-2-6-19(18)22(28-27-21)36-15-37-40(34,35)14-29(13-39(31,32)33)23(30)38-20-7-3-4-12-25-20/h1-12H,13-15H2,(H,26,27)(H,31,32,33)