[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone

Systemtic Name: [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone Openeye Name: [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone CAS Name: [4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-(4-methyl-3-nitrophenyl)methanone IUPAC Name: [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone Traditional Name: [4-(4-tert-butylphenyl)sulfonylpiperazino]-(4-methyl-3-nitro-phenyl)methanone Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5S/c1-16-5-6-17(15-20(16)25(27)28)21(26)23-11-13-24(14-12-23)31(29,30)19-9-7-18(8-10-19)22(2,3)4/h5-10,15H,11-14H2,1-4H3