4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[4-(1-azepanylsulfonyl)-1-piperazinyl]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-7-hydroxychromen-2-one Traditional Name: 4-[[4-(azepan-1-ylsulfonyl)piperazino]methyl]-7-hydroxy-coumarin Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C20H27N3O5S/c24-17-5-6-18-16(13-20(25)28-19(18)14-17)15-21-9-11-23(12-10-21)29(26,27)22-7-3-1-2-4-8-22/h5-6,13-14,24H,1-4,7-12,15H2