tert-butyl 2-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]ethanoate Openeye Name: tert-butyl 2-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]acetate CAS Name: 2-[4-[4-(1-pyrrolidinylsulfonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]acetate Traditional Name: 2-[4-(4-pyrrolidinosulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]acetic acid tert-butyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC1=CC2=C(C=CN=C2N1)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC(C)(C)OC(=O)CC1=CC2=C(C=CN=C2N1)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H27N3O4S/c1-23(2,3)30-21(27)15-17-14-20-19(10-11-24-22(20)25-17)16-6-8-18(9-7-16)31(28,29)26-12-4-5-13-26/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,24,25)