ethyl 5-[4-(1,2-benzoxazol-3-ylmethyl)piperazin-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-[4-(1,2-benzoxazol-3-ylmethyl)piperazin-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-[4-(1,2-benzoxazol-3-ylmethyl)piperazin-1-yl]sulfonyl-3-methyl-benzofuran-2-carboxylate CAS Name: 5-[[4-(1,2-benzoxazol-3-ylmethyl)-1-piperazinyl]sulfonyl]-3-methyl-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(1,2-benzoxazol-3-ylmethyl)piperazin-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-[4-(indoxazen-3-ylmethyl)piperazino]sulfonyl-3-methyl-coumarilic acid ethyl ester Formula: C24H25N3O6S MolecularWeight: 483.5368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)CC4=NOC5=CC=CC=C54)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)CC4=NOC5=CC=CC=C54)C

InChI

InChI=1S/C24H25N3O6S/c1-3-31-24(28)23-16(2)19-14-17(8-9-21(19)32-23)34(29,30)27-12-10-26(11-13-27)15-20-18-6-4-5-7-22(18)33-25-20/h4-9,14H,3,10-13,15H2,1-2H3