[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-ethoxy-4-methoxy-2-nitro-phenyl)methanone

Systemtic Name: [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-ethoxy-4-methoxy-2-nitro-phenyl)methanone Openeye Name: [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-ethoxy-4-methoxy-2-nitro-phenyl)methanone CAS Name: [4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-(5-ethoxy-4-methoxy-2-nitrophenyl)methanone IUPAC Name: [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-ethoxy-4-methoxy-2-nitrophenyl)methanone Traditional Name: [4-(2,4-dimethylphenyl)sulfonylpiperazino]-(5-ethoxy-4-methoxy-2-nitro-phenyl)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=C(C=C3)C)C)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

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