1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one

Systemtic Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one Openeye Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-3-(4-morpholinosulfonylphenyl)propan-1-one CAS Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-3-[4-(4-morpholinylsulfonyl)phenyl]-1-propanone IUPAC Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one Traditional Name: 1-[4-(coumaran-5-ylmethyl)piperazino]-3-(4-morpholinosulfonylphenyl)propan-1-one Formula: C26H33N3O5S MolecularWeight: 499.62232

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)CCC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)CCC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C26H33N3O5S/c30-26(8-4-21-1-5-24(6-2-21)35(31,32)29-14-17-33-18-15-29)28-12-10-27(11-13-28)20-22-3-7-25-23(19-22)9-16-34-25/h1-3,5-7,19H,4,8-18,20H2