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

Systemtic Name: 4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Openeye Name: 4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one CAS Name: 4-[[4-(1-azepanylsulfonyl)-1-piperazinyl]methyl]-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-2-one IUPAC Name: 4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Traditional Name: 4-[[4-(azepan-1-ylsulfonyl)piperazino]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CC3=CC(=O)OC4=CC5=C(CCC5)C=C34

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CC3=CC(=O)OC4=CC5=C(CCC5)C=C34

InChI

InChI=1S/C23H31N3O4S/c27-23-16-20(21-14-18-6-5-7-19(18)15-22(21)30-23)17-24-10-12-26(13-11-24)31(28,29)25-8-3-1-2-4-9-25/h14-16H,1-13,17H2