4-ethyl-7-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenoxy]chromen-2-one

Systemtic Name: 4-ethyl-7-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenoxy]chromen-2-one Openeye Name: 4-ethyl-7-[4-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-phenoxy]chromen-2-one CAS Name: 4-ethyl-7-[4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitrophenoxy]-1-benzopyran-2-one IUPAC Name: 4-ethyl-7-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitrophenoxy]chromen-2-one Traditional Name: 4-ethyl-7-[4-(3-methylpiperidino)sulfonyl-2-nitro-phenoxy]coumarin Formula: C23H24N2O7S MolecularWeight: 472.51086

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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)N4CCCC(C4)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC(=O)OC2=C1C=CC(=C2)OC3=C(C=C(C=C3)S(=O)(=O)N4CCCC(C4)C)[N+](=O)[O-]

InChI

InChI=1S/C23H24N2O7S/c1-3-16-11-23(26)32-22-12-17(6-8-19(16)22)31-21-9-7-18(13-20(21)25(27)28)33(29,30)24-10-4-5-15(2)14-24/h6-9,11-13,15H,3-5,10,14H2,1-2H3