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

Systemtic Name: N-(2-methoxyphenyl)-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Openeye Name: 3-[[4-[(E)-cinnamyl]piperazin-1-yl]methyl]-N-(2-methoxyphenyl)-2-thioxo-1,3-benzoxazole-5-sulfonamide CAS Name: N-(2-methoxyphenyl)-3-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methyl]-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide IUPAC Name: N-(2-methoxyphenyl)-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Traditional Name: 3-[[4-[(E)-cinnamyl]piperazino]methyl]-N-(2-methoxyphenyl)-2-thioxo-1,3-benzoxazole-5-sulfonamide Formula: C28H30N4O4S2 MolecularWeight: 550.6922

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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)CC=CC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H30N4O4S2/c1-35-26-12-6-5-11-24(26)29-38(33,34)23-13-14-27-25(20-23)32(28(37)36-27)21-31-18-16-30(17-19-31)15-7-10-22-8-3-2-4-9-22/h2-14,20,29H,15-19,21H2,1H3/b10-7+