4-ethyl-7-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenoxy]chromen-2-one

Systemtic Name: 4-ethyl-7-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenoxy]chromen-2-one Openeye Name: 4-ethyl-7-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenoxy]chromen-2-one CAS Name: 4-ethyl-7-[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenoxy]-1-benzopyran-2-one IUPAC Name: 4-ethyl-7-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenoxy]chromen-2-one Traditional Name: 4-ethyl-7-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenoxy]coumarin Formula: C22H23N3O7S MolecularWeight: 473.49892

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C=CC(=C2)OC3=C(C=C(C=C3)S(=O)(=O)N4CCN(CC4)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC(=O)OC2=C1C=CC(=C2)OC3=C(C=C(C=C3)S(=O)(=O)N4CCN(CC4)C)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O7S/c1-3-15-12-22(26)32-21-13-16(4-6-18(15)21)31-20-7-5-17(14-19(20)25(27)28)33(29,30)24-10-8-23(2)9-11-24/h4-7,12-14H,3,8-11H2,1-2H3