7-methoxy-4-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]chromen-2-one

Systemtic Name: 7-methoxy-4-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]chromen-2-one Openeye Name: 7-methoxy-4-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]chromen-2-one CAS Name: 7-methoxy-4-[[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methyl]chromen-2-one Traditional Name: 7-methoxy-4-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methyl]coumarin Formula: C22H23N3O7S MolecularWeight: 473.49892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=CC(=O)OC4=C3C=CC(=C4)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=CC(=O)OC4=C3C=CC(=C4)OC

InChI

InChI=1S/C22H23N3O7S/c1-15-3-4-17(25(27)28)12-21(15)33(29,30)24-9-7-23(8-10-24)14-16-11-22(26)32-20-13-18(31-2)5-6-19(16)20/h3-6,11-13H,7-10,14H2,1-2H3