2-methyl-8-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-methyl-8-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 2-methyl-8-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 2-methyl-8-[[3-(1-piperazinyl)-1-pyrrolo[3,2-b]pyridinyl]sulfonyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-methyl-8-(3-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-methyl-8-(3-piperazinopyrrolo[3,2-b]pyridin-1-yl)sulfonyl-3,4-dihydro-1H-isoquinoline Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1)C(=CC=C2)S(=O)(=O)N3C=C(C4=C3C=CC=N4)N5CCNCC5

Isomeric SMILES

CN1CCC2=C(C1)C(=CC=C2)S(=O)(=O)N3C=C(C4=C3C=CC=N4)N5CCNCC5

InChI

InChI=1S/C21H25N5O2S/c1-24-11-7-16-4-2-6-20(17(16)14-24)29(27,28)26-15-19(25-12-9-22-10-13-25)21-18(26)5-3-8-23-21/h2-6,8,15,22H,7,9-14H2,1H3