(E)-3-(6-methoxy-2,3,7-trimethyl-1-benzofuran-5-yl)-1-(4-methylsulfonylpiperazin-1-yl)but-2-en-1-one

Systemtic Name: (E)-3-(6-methoxy-2,3,7-trimethyl-1-benzofuran-5-yl)-1-(4-methylsulfonylpiperazin-1-yl)but-2-en-1-one Openeye Name: (E)-3-(6-methoxy-2,3,7-trimethyl-benzofuran-5-yl)-1-(4-methylsulfonylpiperazin-1-yl)but-2-en-1-one CAS Name: (E)-3-(6-methoxy-2,3,7-trimethyl-5-benzofuranyl)-1-(4-methylsulfonyl-1-piperazinyl)-2-buten-1-one IUPAC Name: (E)-3-(6-methoxy-2,3,7-trimethyl-1-benzofuran-5-yl)-1-(4-methylsulfonylpiperazin-1-yl)but-2-en-1-one Traditional Name: (E)-1-(4-mesylpiperazino)-3-(6-methoxy-2,3,7-trimethyl-benzofuran-5-yl)but-2-en-1-one Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C(=C(C=C12)C(=CC(=O)N3CCN(CC3)S(=O)(=O)C)C)OC)C)C

Isomeric SMILES

CC1=C(OC2=C(C(=C(C=C12)/C(=C/C(=O)N3CCN(CC3)S(=O)(=O)C)/C)OC)C)C

InChI

InChI=1S/C21H28N2O5S/c1-13(11-19(24)22-7-9-23(10-8-22)29(6,25)26)17-12-18-14(2)16(4)28-21(18)15(3)20(17)27-5/h11-12H,7-10H2,1-6H3/b13-11+