7-methoxy-4-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]chromen-2-one

Systemtic Name: 7-methoxy-4-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]chromen-2-one Openeye Name: 7-methoxy-4-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]chromen-2-one CAS Name: 7-methoxy-4-[[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]chromen-2-one Traditional Name: 7-methoxy-4-[[4-(3-nitrophenyl)sulfonylpiperazino]methyl]coumarin Formula: C21H21N3O7S MolecularWeight: 459.47234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O7S/c1-30-17-5-6-19-15(11-21(25)31-20(19)13-17)14-22-7-9-23(10-8-22)32(28,29)18-4-2-3-16(12-18)24(26)27/h2-6,11-13H,7-10,14H2,1H3