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

Systemtic Name: N-[3-[3,5-bis(oxidanylidene)-4-phenethyl-piperazin-1-yl]-3-oxidanylidene-propyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[3-(3,5-dioxo-4-phenethyl-piperazin-1-yl)-3-oxo-propyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[3-(3,5-dioxo-4-phenethyl-1-piperazinyl)-3-oxopropyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[3-(3,5-dioxo-4-phenethylpiperazin-1-yl)-3-oxopropyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[3-(3,5-diketo-4-phenethyl-piperazino)-3-keto-propyl]piazthiole-4-sulfonamide Formula: C21H21N5O5S2 MolecularWeight: 487.55194

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C(=O)CN1C(=O)CCNS(=O)(=O)C2=CC=CC3=NSN=C32)CCC4=CC=CC=C4

Isomeric SMILES

C1C(=O)N(C(=O)CN1C(=O)CCNS(=O)(=O)C2=CC=CC3=NSN=C32)CCC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O5S2/c27-18(9-11-22-33(30,31)17-8-4-7-16-21(17)24-32-23-16)25-13-19(28)26(20(29)14-25)12-10-15-5-2-1-3-6-15/h1-8,22H,9-14H2