2-[2-methyl-1-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanoic acid

Systemtic Name: 2-[2-methyl-1-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanoic acid Openeye Name: 2-[2-methyl-1-[[4-(1-piperidylsulfonyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-3-yl]acetic acid CAS Name: 2-[2-methyl-1-[[4-(1-piperidinylsulfonyl)phenyl]methyl]-3-pyrrolo[2,3-b]pyridinyl]acetic acid IUPAC Name: 2-[2-methyl-1-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]acetic acid Traditional Name: 2-[2-methyl-1-(4-piperidinosulfonylbenzyl)pyrrolo[2,3-b]pyridin-3-yl]acetic acid Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)N=CC=C2)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)N=CC=C2)CC(=O)O

InChI

InChI=1S/C22H25N3O4S/c1-16-20(14-21(26)27)19-6-5-11-23-22(19)25(16)15-17-7-9-18(10-8-17)30(28,29)24-12-3-2-4-13-24/h5-11H,2-4,12-15H2,1H3,(H,26,27)