4-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-7-ethyl-chromen-2-one

Systemtic Name: 4-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-7-ethyl-chromen-2-one Openeye Name: 7-ethyl-4-[(4-indan-5-ylsulfonylpiperazin-1-yl)methyl]chromen-2-one CAS Name: 4-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-7-ethylchromen-2-one Traditional Name: 7-ethyl-4-[(4-indan-5-ylsulfonylpiperazino)methyl]coumarin Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC5=C(CCC5)C=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC5=C(CCC5)C=C4

InChI

InChI=1S/C25H28N2O4S/c1-2-18-6-9-23-21(16-25(28)31-24(23)14-18)17-26-10-12-27(13-11-26)32(29,30)22-8-7-19-4-3-5-20(19)15-22/h6-9,14-16H,2-5,10-13,17H2,1H3