(3-methoxy-4-methyl-phenyl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone

Systemtic Name: (3-methoxy-4-methyl-phenyl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: (3-methoxy-4-methyl-phenyl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone CAS Name: (3-methoxy-4-methylphenyl)-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (3-methoxy-4-methylphenyl)-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [4-(4-mesyl-2-nitro-phenyl)piperazino]-(3-methoxy-4-methyl-phenyl)methanone Formula: C20H23N3O6S MolecularWeight: 433.47812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O6S/c1-14-4-5-15(12-19(14)29-2)20(24)22-10-8-21(9-11-22)17-7-6-16(30(3,27)28)13-18(17)23(25)26/h4-7,12-13H,8-11H2,1-3H3