4-chloranyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide Openeye Name: 4-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-N-methyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide CAS Name: 4-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-N-methyl-3-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: 4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-methyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide Traditional Name: 4-chloro-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-N-methyl-3-[4-(2-pyrimidyl)piperazine-1-carbonyl]benzenesulfonamide Formula: C27H28ClN7O4S MolecularWeight: 582.07372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C27H28ClN7O4S/c1-19-24(26(37)35(31(19)2)20-8-5-4-6-9-20)32(3)40(38,39)21-10-11-23(28)22(18-21)25(36)33-14-16-34(17-15-33)27-29-12-7-13-30-27/h4-13,18H,14-17H2,1-3H3