4-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one

Systemtic Name: 4-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Openeye Name: 4-[[4-(2-thienylsulfonyl)piperazin-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one CAS Name: 4-[(4-thiophen-2-ylsulfonyl-1-piperazinyl)methyl]-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-2-one IUPAC Name: 4-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Traditional Name: 4-[[4-(2-thienylsulfonyl)piperazino]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)CN4CCN(CC4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)CN4CCN(CC4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C21H22N2O4S2/c24-20-13-17(18-11-15-3-1-4-16(15)12-19(18)27-20)14-22-6-8-23(9-7-22)29(25,26)21-5-2-10-28-21/h2,5,10-13H,1,3-4,6-9,14H2