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

Systemtic Name: tert-butyl 4-[1-(3-chlorophenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(3-chlorophenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate CAS Name: 4-[1-(3-chlorophenyl)sulfonyl-4-pyrrolo[2,3-b]pyridinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(3-chlorophenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[1-(3-chlorophenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H25ClN4O4S MolecularWeight: 476.9763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C3C=CN(C3=NC=C2)S(=O)(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C3C=CN(C3=NC=C2)S(=O)(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H25ClN4O4S/c1-22(2,3)31-21(28)26-13-11-25(12-14-26)19-7-9-24-20-18(19)8-10-27(20)32(29,30)17-6-4-5-16(23)15-17/h4-10,15H,11-14H2,1-3H3