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

Systemtic Name: 3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-N-(4-methoxyphenyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Openeye Name: 3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-N-(4-methoxyphenyl)-2-thioxo-1,3-benzoxazole-5-sulfonamide CAS Name: 3-[[4-(2-ethoxyphenyl)-1-piperazinyl]methyl]-N-(4-methoxyphenyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide IUPAC Name: 3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-N-(4-methoxyphenyl)-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Traditional Name: N-(4-methoxyphenyl)-3-[(4-o-phenetylpiperazino)methyl]-2-thioxo-1,3-benzoxazole-5-sulfonamide Formula: C27H30N4O5S2 MolecularWeight: 554.6809

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)CN3C4=C(C=CC(=C4)S(=O)(=O)NC5=CC=C(C=C5)OC)OC3=S

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)CN3C4=C(C=CC(=C4)S(=O)(=O)NC5=CC=C(C=C5)OC)OC3=S

InChI

InChI=1S/C27H30N4O5S2/c1-3-35-25-7-5-4-6-23(25)30-16-14-29(15-17-30)19-31-24-18-22(12-13-26(24)36-27(31)37)38(32,33)28-20-8-10-21(34-2)11-9-20/h4-13,18,28H,3,14-17,19H2,1-2H3