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

Systemtic Name: (2-methoxy-5-nitro-phenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (2-methoxy-5-nitro-phenyl)-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: (2-methoxy-5-nitrophenyl)-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (2-methoxy-5-nitrophenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (2-methoxy-5-nitro-phenyl)-(4-tosylpiperazino)methanone Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H21N3O6S/c1-14-3-6-16(7-4-14)29(26,27)21-11-9-20(10-12-21)19(23)17-13-15(22(24)25)5-8-18(17)28-2/h3-8,13H,9-12H2,1-2H3