1,3-benzothiazol-5-yl-[3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: 1,3-benzothiazol-5-yl-[3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]methanone Openeye Name: 1,3-benzothiazol-5-yl-[3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]methanone CAS Name: 1,3-benzothiazol-5-yl-[3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)-1-piperazinyl]methanone IUPAC Name: 1,3-benzothiazol-5-yl-[3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]methanone Traditional Name: 1,3-benzothiazol-5-yl-[3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazino]methanone Formula: C20H19N5O3S2 MolecularWeight: 441.52656

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CNC3=C2C=CC=N3)C(=O)C4=CC5=C(C=C4)SC=N5

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=CNC3=C2C=CC=N3)C(=O)C4=CC5=C(C=C4)SC=N5

InChI

InChI=1S/C20H19N5O3S2/c1-13-11-24(20(26)14-4-5-17-16(9-14)23-12-29-17)7-8-25(13)30(27,28)18-10-22-19-15(18)3-2-6-21-19/h2-6,9-10,12-13H,7-8,11H2,1H3,(H,21,22)