1-[[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-amine

Systemtic Name: 1-[[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-amine Openeye Name: 1-[[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-amine CAS Name: 1-[[4-[4-(1-pyrrolidinylsulfonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]-4-piperidinamine IUPAC Name: 1-[[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-amine Traditional Name: [1-[[4-(4-pyrrolidinosulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl]-4-piperidyl]amine Formula: C23H29N5O2S MolecularWeight: 439.57366

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=C4C=C(NC4=NC=C3)CN5CCC(CC5)N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=C4C=C(NC4=NC=C3)CN5CCC(CC5)N

InChI

InChI=1S/C23H29N5O2S/c24-18-8-13-27(14-9-18)16-19-15-22-21(7-10-25-23(22)26-19)17-3-5-20(6-4-17)31(29,30)28-11-1-2-12-28/h3-7,10,15,18H,1-2,8-9,11-14,16,24H2,(H,25,26)