ethyl 4-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[2-(1,3-benzoxazol-2-ylthio)acetyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C22H23N3O6S2 MolecularWeight: 489.56452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H23N3O6S2/c1-2-30-21(27)16-7-9-17(10-8-16)33(28,29)25-13-11-24(12-14-25)20(26)15-32-22-23-18-5-3-4-6-19(18)31-22/h3-10H,2,11-15H2,1H3