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

Systemtic Name: N-[3-[4-(4-ethanoylphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxo-propyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[3-[4-(4-acetylphenyl)-1-piperazinyl]-3-oxopropyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[3-[4-(4-acetylphenyl)piperazino]-3-keto-propyl]piazthiole-4-sulfonamide Formula: C21H23N5O4S2 MolecularWeight: 473.56842

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CCNS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CCNS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C21H23N5O4S2/c1-15(27)16-5-7-17(8-6-16)25-11-13-26(14-12-25)20(28)9-10-22-32(29,30)19-4-2-3-18-21(19)24-31-23-18/h2-8,22H,9-14H2,1H3