N-[1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[1-benzyl-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-1-oxo-3-phenylpropan-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[1-benzyl-2-[4-(2,5-dimethylphenyl)piperazino]-2-keto-ethyl]piazthiole-4-sulfonamide Formula: C27H29N5O3S2 MolecularWeight: 535.68086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC5=NSN=C54

InChI

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