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

Systemtic Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone Openeye Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-(4-isopropylsulfonylphenyl)methanone CAS Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-(4-propan-2-ylsulfonylphenyl)methanone IUPAC Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone Traditional Name: [4-(coumaran-5-ylmethyl)piperazino]-(4-isopropylsulfonylphenyl)methanone Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C23H28N2O4S/c1-17(2)30(27,28)21-6-4-19(5-7-21)23(26)25-12-10-24(11-13-25)16-18-3-8-22-20(15-18)9-14-29-22/h3-8,15,17H,9-14,16H2,1-2H3