(4-butoxy-3-methoxy-phenyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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