4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-6-chloranyl-7-methyl-chromen-2-one

Systemtic Name: 4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-6-chloranyl-7-methyl-chromen-2-one Openeye Name: 4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-6-chloro-7-methyl-chromen-2-one CAS Name: 4-[[4-(1-azepanylsulfonyl)-1-piperazinyl]methyl]-6-chloro-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-6-chloro-7-methylchromen-2-one Traditional Name: 4-[[4-(azepan-1-ylsulfonyl)piperazino]methyl]-6-chloro-7-methyl-coumarin Formula: C21H28ClN3O4S MolecularWeight: 453.98272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)S(=O)(=O)N4CCCCCC4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)S(=O)(=O)N4CCCCCC4)Cl

InChI

InChI=1S/C21H28ClN3O4S/c1-16-12-20-18(14-19(16)22)17(13-21(26)29-20)15-23-8-10-25(11-9-23)30(27,28)24-6-4-2-3-5-7-24/h12-14H,2-11,15H2,1H3