1-[2-(3,5-dimethylphenoxy)-5-nitro-phenyl]sulfonyl-4-propan-2-yl-piperazine

Systemtic Name: 1-[2-(3,5-dimethylphenoxy)-5-nitro-phenyl]sulfonyl-4-propan-2-yl-piperazine Openeye Name: 1-[2-(3,5-dimethylphenoxy)-5-nitro-phenyl]sulfonyl-4-isopropyl-piperazine CAS Name: 1-[2-(3,5-dimethylphenoxy)-5-nitrophenyl]sulfonyl-4-propan-2-ylpiperazine IUPAC Name: 1-[2-(3,5-dimethylphenoxy)-5-nitrophenyl]sulfonyl-4-propan-2-ylpiperazine Traditional Name: 1-[2-(3,5-dimethylphenoxy)-5-nitro-phenyl]sulfonyl-4-isopropyl-piperazine Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCN(CC3)C(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCN(CC3)C(C)C)C

InChI

InChI=1S/C21H27N3O5S/c1-15(2)22-7-9-23(10-8-22)30(27,28)21-14-18(24(25)26)5-6-20(21)29-19-12-16(3)11-17(4)13-19/h5-6,11-15H,7-10H2,1-4H3