N-[1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[1-benzyl-2-[3-methyl-4-(m-tolyl)piperazin-1-yl]-2-oxo-ethyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[1-[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-1-oxo-3-phenylpropan-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[1-benzyl-2-keto-2-[3-methyl-4-(m-tolyl)piperazino]ethyl]piazthiole-4-sulfonamide Formula: C27H29N5O3S2 MolecularWeight: 535.68086

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C27H29N5O3S2/c1-19-8-6-11-22(16-19)32-15-14-31(18-20(32)2)27(33)24(17-21-9-4-3-5-10-21)30-37(34,35)25-13-7-12-23-26(25)29-36-28-23/h3-13,16,20,24,30H,14-15,17-18H2,1-2H3