(3,5-dimethoxy-4-methyl-phenyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (3,5-dimethoxy-4-methyl-phenyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (3,5-dimethoxy-4-methyl-phenyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (3,5-dimethoxy-4-methylphenyl)-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (3,5-dimethoxy-4-methylphenyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (3,5-dimethoxy-4-methyl-phenyl)-[4-(2-nitrophenyl)sulfonylpiperazino]methanone Formula: C20H23N3O7S MolecularWeight: 449.47752

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