[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone

Systemtic Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone Openeye Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone CAS Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-[4-(1-pyrrolyl)phenyl]methanone IUPAC Name: [4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone Traditional Name: (4-piazthiol-4-ylsulfonylpiperazino)-(4-pyrrol-1-ylphenyl)methanone Formula: C21H19N5O3S2 MolecularWeight: 453.53726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)N3C=CC=C3)S(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)N3C=CC=C3)S(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C21H19N5O3S2/c27-21(16-6-8-17(9-7-16)24-10-1-2-11-24)25-12-14-26(15-13-25)31(28,29)19-5-3-4-18-20(19)23-30-22-18/h1-11H,12-15H2