[(2R)-2,3-dihydro-1-benzofuran-2-yl]-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [(2R)-2,3-dihydro-1-benzofuran-2-yl]-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [(2R)-2,3-dihydrobenzofuran-2-yl]-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [(2R)-2,3-dihydrobenzofuran-2-yl]-[4-(4-propylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [(2R)-2,3-dihydro-1-benzofuran-2-yl]-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [(2R)-coumaran-2-yl]-[4-(4-propylphenyl)sulfonylpiperazino]methanone Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CC4=CC=CC=C4O3

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)[C@H]3CC4=CC=CC=C4O3

InChI

InChI=1S/C22H26N2O4S/c1-2-5-17-8-10-19(11-9-17)29(26,27)24-14-12-23(13-15-24)22(25)21-16-18-6-3-4-7-20(18)28-21/h3-4,6-11,21H,2,5,12-16H2,1H3/t21-/m1/s1