3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one

Systemtic Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one Openeye Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-1-indolin-1-yl-propan-1-one CAS Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazin-1-iumyl]-1-(2,3-dihydroindol-1-yl)-1-propanone IUPAC Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one Traditional Name: 1-indolin-1-yl-3-(4-piazthiol-4-ylsulfonylpiperazin-1-ium-1-yl)propan-1-one Formula: C21H24N5O3S2+ MolecularWeight: 458.57696

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C(=O)CC[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1CN(C2=CC=CC=C21)C(=O)CC[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C21H23N5O3S2/c27-20(26-11-8-16-4-1-2-6-18(16)26)9-10-24-12-14-25(15-13-24)31(28,29)19-7-3-5-17-21(19)23-30-22-17/h1-7H,8-15H2/p+1