2-[6-bromanyl-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanoic acid

Systemtic Name: 2-[6-bromanyl-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]ethanoic acid Openeye Name: 2-[6-bromo-3-[1-(4-isopropoxyphenyl)sulfonyl-4-piperidyl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid CAS Name: 2-[6-bromo-3-[1-(4-propan-2-yloxyphenyl)sulfonyl-4-piperidinyl]-1-pyrrolo[2,3-b]pyridinyl]acetic acid IUPAC Name: 2-[6-bromo-3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid Traditional Name: 2-[6-bromo-3-[1-(4-isopropoxyphenyl)sulfonyl-4-piperidyl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid Formula: C23H26BrN3O5S MolecularWeight: 536.43864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=CN(C4=C3C=CC(=N4)Br)CC(=O)O

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=CN(C4=C3C=CC(=N4)Br)CC(=O)O

InChI

InChI=1S/C23H26BrN3O5S/c1-15(2)32-17-3-5-18(6-4-17)33(30,31)27-11-9-16(10-12-27)20-13-26(14-22(28)29)23-19(20)7-8-21(24)25-23/h3-8,13,15-16H,9-12,14H2,1-2H3,(H,28,29)