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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)CCS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)CCS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

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