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

Systemtic Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-nitrophenyl)methanone Openeye Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-nitrophenyl)methanone CAS Name: [4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-(3-nitrophenyl)methanone IUPAC Name: [4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-nitrophenyl)methanone Traditional Name: [4-(2,5-dimethylphenyl)sulfonylpiperazino]-(3-nitrophenyl)methanone Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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