tert-butyl (3R)-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl (3R)-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazine-1-carboxylate Openeye Name: tert-butyl (3R)-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazine-1-carboxylate CAS Name: (3R)-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3R)-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazine-1-carboxylate Traditional Name: (3R)-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C17H24N4O4S MolecularWeight: 380.46186

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CNC3=C2C=CC=N3)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H]1CN(CCN1S(=O)(=O)C2=CNC3=C2C=CC=N3)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H24N4O4S/c1-12-11-20(16(22)25-17(2,3)4)8-9-21(12)26(23,24)14-10-19-15-13(14)6-5-7-18-15/h5-7,10,12H,8-9,11H2,1-4H3,(H,18,19)/t12-/m1/s1