(4-methyl-3-methylsulfonyl-phenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: (4-methyl-3-methylsulfonyl-phenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: (4-methyl-3-methylsulfonyl-phenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: (4-methyl-3-methylsulfonylphenyl)-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (4-methyl-3-methylsulfonylphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (3-mesyl-4-methyl-phenyl)-[4-(4-nitrophenyl)piperazino]methanone Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5S/c1-14-3-4-15(13-18(14)28(2,26)27)19(23)21-11-9-20(10-12-21)16-5-7-17(8-6-16)22(24)25/h3-8,13H,9-12H2,1-2H3