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

Systemtic Name: 4-methyl-7-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenoxy]chromen-2-one Openeye Name: 4-methyl-7-[4-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-phenoxy]chromen-2-one CAS Name: 4-methyl-7-[4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitrophenoxy]-1-benzopyran-2-one IUPAC Name: 4-methyl-7-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitrophenoxy]chromen-2-one Traditional Name: 4-methyl-7-[4-(3-methylpiperidino)sulfonyl-2-nitro-phenoxy]coumarin Formula: C22H22N2O7S MolecularWeight: 458.48428

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC4=C(C=C3)C(=CC(=O)O4)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC4=C(C=C3)C(=CC(=O)O4)C)[N+](=O)[O-]

InChI

InChI=1S/C22H22N2O7S/c1-14-4-3-9-23(13-14)32(28,29)17-6-8-20(19(12-17)24(26)27)30-16-5-7-18-15(2)10-22(25)31-21(18)11-16/h5-8,10-12,14H,3-4,9,13H2,1-2H3