(2-nitrophenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (2-nitrophenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (2-nitrophenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (2-nitrophenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (2-nitrophenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (2-nitrophenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazino]methanone Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3[N+](=O)[O-])C)C

InChI

InChI=1S/C21H25N3O5S/c1-14-13-15(2)17(4)20(16(14)3)30(28,29)23-11-9-22(10-12-23)21(25)18-7-5-6-8-19(18)24(26)27/h5-8,13H,9-12H2,1-4H3