(4-butoxyphenyl)-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (4-butoxyphenyl)-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-butoxyphenyl)-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (4-butoxyphenyl)-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-butoxyphenyl)-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (4-butoxyphenyl)-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]methanone Formula: C22H27N3O7S MolecularWeight: 477.53068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O7S/c1-3-4-15-32-18-7-5-17(6-8-18)22(26)23-11-13-24(14-12-23)33(29,30)19-9-10-21(31-2)20(16-19)25(27)28/h5-10,16H,3-4,11-15H2,1-2H3