tert-butyl 4-[1-(2-nitrophenyl)sulfonylpyrrolo[3,2-b]pyridin-6-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(2-nitrophenyl)sulfonylpyrrolo[3,2-b]pyridin-6-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(2-nitrophenyl)sulfonylpyrrolo[3,2-b]pyridin-6-yl]piperazine-1-carboxylate CAS Name: 4-[1-(2-nitrophenyl)sulfonyl-6-pyrrolo[3,2-b]pyridinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(2-nitrophenyl)sulfonylpyrrolo[3,2-b]pyridin-6-yl]piperazine-1-carboxylate Traditional Name: 4-[1-(2-nitrophenyl)sulfonylpyrrolo[3,2-b]pyridin-6-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H25N5O6S MolecularWeight: 487.5288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CN=C3C=CN(C3=C2)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CN=C3C=CN(C3=C2)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O6S/c1-22(2,3)33-21(28)25-12-10-24(11-13-25)16-14-19-17(23-15-16)8-9-26(19)34(31,32)20-7-5-4-6-18(20)27(29)30/h4-9,14-15H,10-13H2,1-3H3