ethyl 4-[4-[(3-methyl-1-benzofuran-2-yl)carbonyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[(3-methyl-1-benzofuran-2-yl)carbonyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(3-methylbenzofuran-2-carbonyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(3-methyl-2-benzofuranyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(3-methylbenzofuran-2-carbonyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C23H24N2O6S MolecularWeight: 456.51146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C4=CC=CC=C4O3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C4=CC=CC=C4O3)C

InChI

InChI=1S/C23H24N2O6S/c1-3-30-23(27)17-8-10-18(11-9-17)32(28,29)25-14-12-24(13-15-25)22(26)21-16(2)19-6-4-5-7-20(19)31-21/h4-11H,3,12-15H2,1-2H3