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

Systemtic Name: 4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[[4-(1-azepanylsulfonyl)-1-piperazinyl]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[[4-(azepan-1-ylsulfonyl)piperazino]methyl]-6-isopropyl-7-methyl-coumarin Formula: C24H35N3O4S MolecularWeight: 461.6174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35N3O4S/c1-18(2)21-16-22-20(15-24(28)31-23(22)14-19(21)3)17-25-10-12-27(13-11-25)32(29,30)26-8-6-4-5-7-9-26/h14-16,18H,4-13,17H2,1-3H3