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

Systemtic Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-3-indol-1-yl-propan-1-one Openeye Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-3-indol-1-yl-propan-1-one CAS Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-3-(1-indolyl)-1-propanone IUPAC Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-3-indol-1-ylpropan-1-one Traditional Name: 3-indol-1-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)CCN2C=CC3=CC=CC=C32)S(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1CN(CCN1C(=O)CCN2C=CC3=CC=CC=C32)S(=O)(=O)C4=CC=CC5=NSN=C54

InChI

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