N-(2-chlorophenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-sulfanylidene-1,3-benzoxazole-6-sulfonamide

Systemtic Name: N-(2-chlorophenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-sulfanylidene-1,3-benzoxazole-6-sulfonamide Openeye Name: N-(2-chlorophenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-thioxo-1,3-benzoxazole-6-sulfonamide CAS Name: N-(2-chlorophenyl)-3-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-2-sulfanylidene-1,3-benzoxazole-6-sulfonamide IUPAC Name: N-(2-chlorophenyl)-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-sulfanylidene-1,3-benzoxazole-6-sulfonamide Traditional Name: N-(2-chlorophenyl)-3-[[4-(2-pyrimidyl)piperazino]methyl]-2-thioxo-1,3-benzoxazole-6-sulfonamide Formula: C22H21ClN6O3S2 MolecularWeight: 517.02354

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C3=C(C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4Cl)OC2=S)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1CN2C3=C(C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4Cl)OC2=S)C5=NC=CC=N5

InChI

InChI=1S/C22H21ClN6O3S2/c23-17-4-1-2-5-18(17)26-34(30,31)16-6-7-19-20(14-16)32-22(33)29(19)15-27-10-12-28(13-11-27)21-24-8-3-9-25-21/h1-9,14,26H,10-13,15H2