(6-ethoxy-2H-chromen-3-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (6-ethoxy-2H-chromen-3-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (6-ethoxy-2H-chromen-3-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (6-ethoxy-2H-1-benzopyran-3-yl)-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (6-ethoxy-2H-chromen-3-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (6-ethoxy-2H-chromen-3-yl)-[4-(3-nitrophenyl)sulfonylpiperazino]methanone Formula: C22H23N3O7S MolecularWeight: 473.49892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OCC(=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)OCC(=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

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