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

Systemtic Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one Openeye Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one CAS Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-3-(2,4-dimethylphenyl)-1-propanone IUPAC Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one Traditional Name: 3-(2,4-dimethylphenyl)-1-(4-piazthiol-4-ylsulfonylpiperazino)propan-1-one Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43)C

Isomeric SMILES

CC1=CC(=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43)C

InChI

InChI=1S/C21H24N4O3S2/c1-15-6-7-17(16(2)14-15)8-9-20(26)24-10-12-25(13-11-24)30(27,28)19-5-3-4-18-21(19)23-29-22-18/h3-7,14H,8-13H2,1-2H3