3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide

Systemtic Name: 3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Openeye Name: 3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-(2-methoxyphenyl)-2-thioxo-1,3-benzoxazole-5-sulfonamide CAS Name: 3-[[4-(2-chlorophenyl)-1-piperazinyl]methyl]-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide IUPAC Name: 3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-(2-methoxyphenyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Traditional Name: 3-[[4-(2-chlorophenyl)piperazino]methyl]-N-(2-methoxyphenyl)-2-thioxo-1,3-benzoxazole-5-sulfonamide Formula: C25H25ClN4O4S2 MolecularWeight: 545.0734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OC(=S)N3CN4CCN(CC4)C5=CC=CC=C5Cl

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OC(=S)N3CN4CCN(CC4)C5=CC=CC=C5Cl

InChI

InChI=1S/C25H25ClN4O4S2/c1-33-23-9-5-3-7-20(23)27-36(31,32)18-10-11-24-22(16-18)30(25(35)34-24)17-28-12-14-29(15-13-28)21-8-4-2-6-19(21)26/h2-11,16,27H,12-15,17H2,1H3