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

Systemtic Name: 2-[2-methyl-1-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanoic acid Openeye Name: 2-[2-methyl-1-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]acetic acid CAS Name: 2-[2-methyl-1-[[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]-3-pyrrolo[2,3-b]pyridinyl]acetic acid IUPAC Name: 2-[2-methyl-1-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]acetic acid Traditional Name: 2-[2-methyl-1-(4-pyrrolidinosulfonylbenzyl)pyrrolo[2,3-b]pyridin-3-yl]acetic acid Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=C(C=C3)S(=O)(=O)N4CCCC4)N=CC=C2)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=C(C=C3)S(=O)(=O)N4CCCC4)N=CC=C2)CC(=O)O

InChI

InChI=1S/C21H23N3O4S/c1-15-19(13-20(25)26)18-5-4-10-22-21(18)24(15)14-16-6-8-17(9-7-16)29(27,28)23-11-2-3-12-23/h4-10H,2-3,11-14H2,1H3,(H,25,26)