3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-N-(4-nitrophenyl)propanamide

Systemtic Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-N-(4-nitrophenyl)propanamide Openeye Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-N-(4-nitrophenyl)propanamide CAS Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-N-(4-nitrophenyl)propanamide IUPAC Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-N-(4-nitrophenyl)propanamide Traditional Name: N-(4-nitrophenyl)-3-(4-piazthiol-4-ylsulfonylpiperazino)propionamide Formula: C19H20N6O5S2 MolecularWeight: 476.5293

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CN(CCN1CCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C19H20N6O5S2/c26-18(20-14-4-6-15(7-5-14)25(27)28)8-9-23-10-12-24(13-11-23)32(29,30)17-3-1-2-16-19(17)22-31-21-16/h1-7H,8-13H2,(H,20,26)