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

Systemtic Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one CAS Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one Traditional Name: 1-[4-(2,3-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=C(C(=CC=C1)N2CCN(CC2)C(=O)CCS(=O)(=O)C3=CC=CC4=NSN=C43)C

Isomeric SMILES

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

InChI

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