3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-one CAS Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-one Traditional Name: 1-[4-(2,5-dimethylphenyl)piperazino]-3-piazthiol-4-ylsulfonyl-propan-1-one Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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