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

Systemtic Name: 4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-7-methyl-chromen-2-one Openeye Name: 4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-7-methyl-chromen-2-one CAS Name: 4-[[4-(1-azepanylsulfonyl)-1-piperazinyl]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-7-methylchromen-2-one Traditional Name: 4-[[4-(azepan-1-ylsulfonyl)piperazino]methyl]-7-methyl-coumarin Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C21H29N3O4S/c1-17-6-7-19-18(15-21(25)28-20(19)14-17)16-22-10-12-24(13-11-22)29(26,27)23-8-4-2-3-5-9-23/h6-7,14-15H,2-5,8-13,16H2,1H3