7-[2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]chromen-2-one

Systemtic Name: 7-[2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]chromen-2-one Openeye Name: 7-[2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-2-oxo-ethoxy]chromen-2-one CAS Name: 7-[2-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-2-oxoethoxy]-1-benzopyran-2-one IUPAC Name: 7-[2-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-2-oxoethoxy]chromen-2-one Traditional Name: 7-[2-keto-2-[4-(4-mesyl-2-nitro-phenyl)piperazino]ethoxy]coumarin Formula: C22H21N3O8S MolecularWeight: 487.48244

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)COC3=CC4=C(C=C3)C=CC(=O)O4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)COC3=CC4=C(C=C3)C=CC(=O)O4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O8S/c1-34(30,31)17-5-6-18(19(13-17)25(28)29)23-8-10-24(11-9-23)21(26)14-32-16-4-2-15-3-7-22(27)33-20(15)12-16/h2-7,12-13H,8-11,14H2,1H3