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

Systemtic Name: (5-ethoxy-4-methoxy-2-nitro-phenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (5-ethoxy-4-methoxy-2-nitro-phenyl)-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: (5-ethoxy-4-methoxy-2-nitrophenyl)-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (5-ethoxy-4-methoxy-2-nitrophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (5-ethoxy-4-methoxy-2-nitro-phenyl)-(4-tosylpiperazino)methanone Formula: C21H25N3O7S MolecularWeight: 463.5041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O7S/c1-4-31-20-13-17(18(24(26)27)14-19(20)30-3)21(25)22-9-11-23(12-10-22)32(28,29)16-7-5-15(2)6-8-16/h5-8,13-14H,4,9-12H2,1-3H3