3-[(4S,5R)-5-benzamido-3-methyl-6-oxidanylidene-1-phenyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-4-yl]-4-methoxy-benzenesulfonate

Systemtic Name: 3-[(4S,5R)-5-benzamido-3-methyl-6-oxidanylidene-1-phenyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-4-yl]-4-methoxy-benzenesulfonate Openeye Name: 3-[(4S,5R)-5-benzamido-3-methyl-6-oxo-1-phenyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-4-yl]-4-methoxy-benzenesulfonate CAS Name: 3-[(4S,5R)-5-benzamido-3-methyl-6-oxo-1-phenyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-4-yl]-4-methoxybenzenesulfonate IUPAC Name: 3-[(4S,5R)-5-benzamido-3-methyl-6-oxo-1-phenyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-4-yl]-4-methoxybenzenesulfonate Traditional Name: 3-[(4S,5R)-5-benzamido-6-keto-3-methyl-1-phenyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-4-yl]-4-methoxy-besylate Formula: C27H23N4O6S- MolecularWeight: 531.55972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(C(C(=O)N=C2N(N1)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4)C5=C(C=CC(=C5)S(=O)(=O)[O-])OC

Isomeric SMILES

CC1=C2[C@H]([C@H](C(=O)N=C2N(N1)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4)C5=C(C=CC(=C5)S(=O)(=O)[O-])OC

InChI

InChI=1S/C27H24N4O6S/c1-16-22-23(20-15-19(38(34,35)36)13-14-21(20)37-2)24(28-26(32)17-9-5-3-6-10-17)27(33)29-25(22)31(30-16)18-11-7-4-8-12-18/h3-15,23-24,30H,1-2H3,(H,28,32)(H,34,35,36)/p-1/t23-,24-/m1/s1