1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(3-nitrophenoxy)ethanone

Systemtic Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(3-nitrophenoxy)ethanone Openeye Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(3-nitrophenoxy)ethanone CAS Name: 1-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-(3-nitrophenoxy)ethanone IUPAC Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(3-nitrophenoxy)ethanone Traditional Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-2-(3-nitrophenoxy)ethanone Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=CC=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H23N3O6S/c1-15-6-7-19(16(2)12-15)30(27,28)22-10-8-21(9-11-22)20(24)14-29-18-5-3-4-17(13-18)23(25)26/h3-7,12-13H,8-11,14H2,1-2H3