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

Systemtic Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one Openeye Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one CAS Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-3-(1H-indol-3-yl)-1-propanone IUPAC Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one Traditional Name: 3-(1H-indol-3-yl)-1-(4-piazthiol-4-ylsulfonylpiperazino)propan-1-one Formula: C21H21N5O3S2 MolecularWeight: 455.55314

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC2=CNC3=CC=CC=C32)S(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1CN(CCN1C(=O)CCC2=CNC3=CC=CC=C32)S(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C21H21N5O3S2/c27-20(9-8-15-14-22-17-5-2-1-4-16(15)17)25-10-12-26(13-11-25)31(28,29)19-7-3-6-18-21(19)24-30-23-18/h1-7,14,22H,8-13H2