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

Systemtic Name: 4-methyl-7-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenoxy]chromen-2-one Openeye Name: 4-methyl-7-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenoxy]chromen-2-one CAS Name: 4-methyl-7-[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenoxy]-1-benzopyran-2-one IUPAC Name: 4-methyl-7-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenoxy]chromen-2-one Traditional Name: 4-methyl-7-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenoxy]coumarin Formula: C21H21N3O7S MolecularWeight: 459.47234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OC3=C(C=C(C=C3)S(=O)(=O)N4CCN(CC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC3=C(C=C(C=C3)S(=O)(=O)N4CCN(CC4)C)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O7S/c1-14-11-21(25)31-20-12-15(3-5-17(14)20)30-19-6-4-16(13-18(19)24(26)27)32(28,29)23-9-7-22(2)8-10-23/h3-6,11-13H,7-10H2,1-2H3