2H-chromen-3-yl-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: 2H-chromen-3-yl-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: 2H-chromen-3-yl-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methanone CAS Name: 2H-1-benzopyran-3-yl-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: 2H-chromen-3-yl-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: 2H-chromen-3-yl-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]methanone Formula: C21H21N3O7S MolecularWeight: 459.47234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4OC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4OC3)[N+](=O)[O-]

InChI

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