(3S)-1-[3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylphenyl]pyrrolidin-3-ol

Systemtic Name: (3S)-1-[3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylphenyl]pyrrolidin-3-ol Openeye Name: (3S)-1-[3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylphenyl]pyrrolidin-3-ol CAS Name: (3S)-1-[3-[[3-(1-piperazinyl)-1-pyrrolo[3,2-b]pyridinyl]sulfonyl]phenyl]-3-pyrrolidinol IUPAC Name: (3S)-1-[3-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonylphenyl]pyrrolidin-3-ol Traditional Name: (3S)-1-[3-(3-piperazinopyrrolo[3,2-b]pyridin-1-yl)sulfonylphenyl]pyrrolidin-3-ol Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1O)C2=CC(=CC=C2)S(=O)(=O)N3C=C(C4=C3C=CC=N4)N5CCNCC5

Isomeric SMILES

C1CN(C[C@H]1O)C2=CC(=CC=C2)S(=O)(=O)N3C=C(C4=C3C=CC=N4)N5CCNCC5

InChI

InChI=1S/C21H25N5O3S/c27-17-6-10-25(14-17)16-3-1-4-18(13-16)30(28,29)26-15-20(24-11-8-22-9-12-24)21-19(26)5-2-7-23-21/h1-5,7,13,15,17,22,27H,6,8-12,14H2/t17-/m0/s1