1-(4,5-diethoxy-2-nitro-phenyl)-4-(4-methylphenyl)sulfonyl-piperazine

Systemtic Name: 1-(4,5-diethoxy-2-nitro-phenyl)-4-(4-methylphenyl)sulfonyl-piperazine Openeye Name: 1-(4,5-diethoxy-2-nitro-phenyl)-4-(p-tolylsulfonyl)piperazine CAS Name: 1-(4,5-diethoxy-2-nitrophenyl)-4-(4-methylphenyl)sulfonylpiperazine IUPAC Name: 1-(4,5-diethoxy-2-nitrophenyl)-4-(4-methylphenyl)sulfonylpiperazine Traditional Name: 1-(4,5-diethoxy-2-nitro-phenyl)-4-tosyl-piperazine Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O6S/c1-4-29-20-14-18(19(24(25)26)15-21(20)30-5-2)22-10-12-23(13-11-22)31(27,28)17-8-6-16(3)7-9-17/h6-9,14-15H,4-5,10-13H2,1-3H3