N-[3-[4-(5-chloranylpyrimidin-2-yl)piperazin-1-yl]-3-oxidanylidene-propyl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[3-[4-(5-chloranylpyrimidin-2-yl)piperazin-1-yl]-3-oxidanylidene-propyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[3-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-3-oxo-propyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[3-[4-(5-chloro-2-pyrimidinyl)-1-piperazinyl]-3-oxopropyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[3-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-3-oxopropyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[3-[4-(5-chloropyrimidin-2-yl)piperazino]-3-keto-propyl]piazthiole-4-sulfonamide Formula: C17H18ClN7O3S2 MolecularWeight: 467.95292

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=N2)Cl)C(=O)CCNS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=N2)Cl)C(=O)CCNS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C17H18ClN7O3S2/c18-12-10-19-17(20-11-12)25-8-6-24(7-9-25)15(26)4-5-21-30(27,28)14-3-1-2-13-16(14)23-29-22-13/h1-3,10-11,21H,4-9H2