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

Systemtic Name: N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-1-phenyl-ethyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxo-1-phenyl-ethyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-oxo-1-phenylethyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[2-[4-(2,3-dimethylphenyl)piperazino]-2-keto-1-phenyl-ethyl]piazthiole-4-sulfonamide Formula: C26H27N5O3S2 MolecularWeight: 521.65428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N5O3S2/c1-18-8-6-12-22(19(18)2)30-14-16-31(17-15-30)26(32)24(20-9-4-3-5-10-20)29-36(33,34)23-13-7-11-21-25(23)28-35-27-21/h3-13,24,29H,14-17H2,1-2H3