(2S)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3-propan-2-yl-2-sulfamoyl-phenyl)piperazine-1-carboxamide

Systemtic Name: (2S)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3-propan-2-yl-2-sulfamoyl-phenyl)piperazine-1-carboxamide Openeye Name: (2S)-N-(3-isopropyl-2-sulfamoyl-phenyl)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide CAS Name: (2S)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3-propan-2-yl-2-sulfamoylphenyl)-1-piperazinecarboxamide IUPAC Name: (2S)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3-propan-2-yl-2-sulfamoylphenyl)piperazine-1-carboxamide Traditional Name: (2S)-N-(3-isopropyl-2-sulfamoyl-phenyl)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide Formula: C22H29N7O3S MolecularWeight: 471.57576

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC2=CC=CC(=C2S(=O)(=O)N)C(C)C)C3=NC=NC4=C3C(=CN4)C

Isomeric SMILES

C[C@H]1CN(CCN1C(=O)NC2=CC=CC(=C2S(=O)(=O)N)C(C)C)C3=NC=NC4=C3C(=CN4)C

InChI

InChI=1S/C22H29N7O3S/c1-13(2)16-6-5-7-17(19(16)33(23,31)32)27-22(30)29-9-8-28(11-15(29)4)21-18-14(3)10-24-20(18)25-12-26-21/h5-7,10,12-13,15H,8-9,11H2,1-4H3,(H,27,30)(H2,23,31,32)(H,24,25,26)/t15-/m0/s1