4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[4-(1-azepanylsulfonyl)-1-piperazinyl]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[4-(azepan-1-ylsulfonyl)piperazino]methyl]-7,8-dimethyl-coumarin Formula: C22H31N3O4S MolecularWeight: 433.56424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)N4CCCCCC4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)N4CCCCCC4)C

InChI

InChI=1S/C22H31N3O4S/c1-17-7-8-20-19(15-21(26)29-22(20)18(17)2)16-23-11-13-25(14-12-23)30(27,28)24-9-5-3-4-6-10-24/h7-8,15H,3-6,9-14,16H2,1-2H3