(3,4-diethoxyphenyl)-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (3,4-diethoxyphenyl)-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (3,4-diethoxyphenyl)-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (3,4-diethoxyphenyl)-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (3,4-diethoxyphenyl)-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (3,4-diethoxyphenyl)-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methanone Formula: C22H27N3O7S MolecularWeight: 477.53068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C)OCC

InChI

InChI=1S/C22H27N3O7S/c1-4-31-19-9-7-17(14-20(19)32-5-2)22(26)23-10-12-24(13-11-23)33(29,30)21-15-18(25(27)28)8-6-16(21)3/h6-9,14-15H,4-5,10-13H2,1-3H3