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

Systemtic Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethanone Openeye Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-[3-methyl-4-(m-tolyl)piperazin-1-yl]ethanone CAS Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-[3-methyl-4-(3-methylphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethanone Traditional Name: 1-[3-methyl-4-(m-tolyl)piperazino]-2-piazthiol-4-ylsulfonyl-ethanone Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3S2/c1-14-5-3-6-16(11-14)24-10-9-23(12-15(24)2)19(25)13-29(26,27)18-8-4-7-17-20(18)22-28-21-17/h3-8,11,15H,9-10,12-13H2,1-2H3