2-[6-(2-azanyl-2-oxidanylidene-ethyl)-4-[(5-chloranyl-1H-indol-2-yl)sulfonyl]-1-[2-[6-(oxidanylidenemethylidene)-1H-pyrimidin-2-yl]pyridin-3-yl]piperazin-2-yl]ethanamide

Systemtic Name: 2-[6-(2-azanyl-2-oxidanylidene-ethyl)-4-[(5-chloranyl-1H-indol-2-yl)sulfonyl]-1-[2-[6-(oxidanylidenemethylidene)-1H-pyrimidin-2-yl]pyridin-3-yl]piperazin-2-yl]ethanamide Openeye Name: 2-[6-(2-amino-2-oxo-ethyl)-4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-[2-[6-(oxomethylene)-1H-pyrimidin-2-yl]-3-pyridyl]piperazin-2-yl]acetamide CAS Name: 2-[6-(2-amino-2-oxoethyl)-4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-[2-[6-(oxomethylidene)-1H-pyrimidin-2-yl]-3-pyridinyl]-2-piperazinyl]acetamide IUPAC Name: 2-[6-(2-amino-2-oxoethyl)-4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-[2-[6-(oxomethylidene)-1H-pyrimidin-2-yl]pyridin-3-yl]piperazin-2-yl]acetamide Traditional Name: 2-[6-(2-amino-2-keto-ethyl)-4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-[2-[6-(ketomethylene)-1H-pyrimidin-2-yl]-3-pyridyl]piperazin-2-yl]acetamide Formula: C26H25ClN8O5S MolecularWeight: 597.0453

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(CN1S(=O)(=O)C2=CC3=C(N2)C=CC(=C3)Cl)CC(=O)N)C4=C(N=CC=C4)C5=NC=CC(=C=O)N5)CC(=O)N

Isomeric SMILES

C1C(N(C(CN1S(=O)(=O)C2=CC3=C(N2)C=CC(=C3)Cl)CC(=O)N)C4=C(N=CC=C4)C5=NC=CC(=C=O)N5)CC(=O)N

InChI

InChI=1S/C26H25ClN8O5S/c27-16-3-4-20-15(8-16)9-24(33-20)41(39,40)34-12-18(10-22(28)37)35(19(13-34)11-23(29)38)21-2-1-6-30-25(21)26-31-7-5-17(14-36)32-26/h1-9,18-19,33H,10-13H2,(H2,28,37)(H2,29,38)(H,31,32)