(3,5-dimethoxy-4-methyl-phenyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (3,5-dimethoxy-4-methyl-phenyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (3,5-dimethoxy-4-methyl-phenyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (3,5-dimethoxy-4-methylphenyl)-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (3,5-dimethoxy-4-methylphenyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (3,5-dimethoxy-4-methyl-phenyl)-[4-(3-nitrophenyl)sulfonylpiperazino]methanone Formula: C20H23N3O7S MolecularWeight: 449.47752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1OC)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=C(C=C(C=C1OC)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H23N3O7S/c1-14-18(29-2)11-15(12-19(14)30-3)20(24)21-7-9-22(10-8-21)31(27,28)17-6-4-5-16(13-17)23(25)26/h4-6,11-13H,7-10H2,1-3H3