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

Systemtic Name: N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[1-benzyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[1-[4-(4-methoxyphenyl)-1-piperazinyl]-1-oxo-3-phenylpropan-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[1-benzyl-2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl]piazthiole-4-sulfonamide Formula: C26H27N5O4S2 MolecularWeight: 537.65368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C26H27N5O4S2/c1-35-21-12-10-20(11-13-21)30-14-16-31(17-15-30)26(32)23(18-19-6-3-2-4-7-19)29-37(33,34)24-9-5-8-22-25(24)28-36-27-22/h2-13,23,29H,14-18H2,1H3